COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION
FULL DB
Total number of items: 1633432
Total number of pages: 1634 ( 1000 items on each page )
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STK833087
Synonyms: 4-(4-methoxybenzyl)-1-(propylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: CCCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2Cc1ccc(cc1)OC)CCCCC3
STK833089
Synonyms: 5-(4-fluorophenyl)-2-methyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Smiles: CC1CC(=O)C2=C(C1)c1c(NC2c2ccc(cc2)F)ccc2c1cccc2
STK833090
Synonyms: 5-butyl-8-(methylsulfanyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Smiles: CCCCc1nc2sc3c(c2c2c1CCCC2)ncnc3SC
STK833092
Synonyms: 1-(2-chlorobenzyl)-8-[(3-hydroxypropyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCCNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccccc1Cl
STK833095
Synonyms: 3-cyclohexyl-2-[(2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: O=c1n(C2CCCCC2)c(SCCc2ccccc2)nc2c1C1(CCCC1)Cc1c2cccc1
STK833097
Synonyms: 5-(4-fluorophenyl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Smiles: Fc1ccc(cc1)C1Nc2ccc3c(c2C2=C1C(=O)CCC2)cccc3
STK833099
Synonyms: N'-(6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)benzohydrazide
Smiles: O=C(c1ccccc1)NNc1ncnc2c1c1CC(C)(C)OCc1s2
STK833100
Synonyms: 1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(2-methylphenoxy)propan-2-ol
Smiles: OC(COc1ccccc1C)CNc1nc(C)cc(n1)C
STK833104
Synonyms: 6-amino-8-(2-chloro-6-fluorophenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C(C(C2C1=CCN(C2)C(C)C)c1c(F)cccc1Cl)(C#N)C#N
STK833105
Synonyms: 3-amino-N-cyclopropyl-4-(4-fluorophenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
Smiles: Fc1ccc(cc1)c1cc(nc2c1c(N)c(s2)C(=O)NC1CC1)c1ccccc1
STK833106
Synonyms: 2-hydrazinyl-3-(4-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: NNc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)CCCC3
STK833107
Synonyms: 1-(2-{[4-(2-methylpropoxy)benzyl]sulfanyl}ethyl)-3-phenylthiourea
Smiles: CC(COc1ccc(cc1)CSCCNC(=S)Nc1ccccc1)C
STK833108
Synonyms: 2-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}imidazo[1,2-a]pyrimidine
Smiles: Cc1cc(C)nc(n1)SCc1cn2c(n1)nccc2
STK833110
Synonyms: 2-methyl-1,9-diphenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carbonitrile
Smiles: N#Cc1c2nc3CCCCc3c(c2n(c1C)c1ccccc1)c1ccccc1
STK833111
Synonyms: ethyl{[3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCOC(C1)(C)C)CCCC3
STK833113
Synonyms: 1',3',3'-trimethyl-1',3'-dihydrospiro[chromene-2,2'-indole]
Smiles: CN1c2ccccc2C(C21C=Cc1c(O2)cccc1)(C)C
STK833114
Synonyms: 7-bromo-N,N-bis(2-chloroethyl)-2,1,3-benzothiadiazole-4-sulfonamide
Smiles: ClCCN(S(=O)(=O)c1ccc(c2c1nsn2)Br)CCCl
STK833115
Synonyms: 10-phenyl-9,10-dihydrospiro[benzo[h][1,3]thiazolo[2,3-b]quinazoline-6,1'-cyclopentan]-7(5H)-one
Smiles: O=c1n2CC(Sc2nc2c1C1(CCCC1)Cc1c2cccc1)c1ccccc1
STK833116
Synonyms: 4-(2-methoxyphenyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: COc1ccccc1n1c2nncn2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK833117
Synonyms: ethyl[(3-cyclohexyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCCCC1)CCCC3
STK833120
Synonyms: 6-[(E)-2-nitro-2-phenylethenyl]-2,3-dihydro-1,4-benzodioxine
Smiles: [O-][N+](=O)/C(=C/c1ccc2c(c1)OCCO2)/c1ccccc1
STK833122
Synonyms: 6-(bromomethyl)-4-methyl-2-(methylsulfanyl)-5,6-dihydrofuro[2,3-d]pyrimidine
Smiles: BrCC1Oc2c(C1)c(C)nc(n2)SC
STK833123
Synonyms: (1Z)-4-methyl-2-(1H-1,2,4-triazol-1-yl)-1-(1,3,5-trimethyl-1H-pyrazol-4-yl)pent-1-en-3-one
Smiles: CC(C(=O)/C(=C/c1c(C)nn(c1C)C)/n1ncnc1)C
STK833124
Synonyms: ethyl5-hydroxy-1-[2-hydroxy-2-(4-nitrophenyl)ethyl]-2-methyl-1H-benzo[g]indole-3-carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1cc(O)c1c2cccc1)CC(c1ccc(cc1)[N+](=O)[O-])O
STK833125
Synonyms: 9-methyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-one
Smiles: [O-][N+](=O)c1ccc2c(c1)c1CCCC(=O)c1n2C
STK833126
Synonyms: 3-(prop-2-en-1-yl)-2-(prop-2-en-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: C=CCn1c(SCC=C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK833127
Synonyms: (8E)-2-amino-6-benzyl-8-(4-fluorobenzylidene)-4-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Smiles: N#CC1=C(N)OC2=C(C1c1ccc(cc1)F)CN(C/C/2=C\c1ccc(cc1)F)Cc1ccccc1
STK833128
Synonyms: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: Clc1ccc(cc1)C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCCCC1)CCCCC3
STK833129
Synonyms: 2-amino-1-(4-butoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonitrile
Smiles: CCCCOc1ccc(cc1)n1c2nc3ccccc3nc2c(c1N)C#N
STK833130
Synonyms: ethyl5-hydroxy-1-(4-methoxyphenyl)-2-methyl-6,8-diphenyl-1,6-dihydropyrrolo[2,3-e]indazole-3-carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1cc(O)c1c2c(nn1c1ccccc1)c1ccccc1)c1ccc(cc1)OC
STK833134
Synonyms: 3,3-dimethyl-6-[(2-methylpropyl)sulfanyl]-8-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Smiles: N#Cc1c(SCC(C)C)nc(c2c1CC(C)(C)OC2)N1CCCC1
STK833138
Synonyms: 6-amino-8-(3-iodophenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C(C(C2C1=CCN(C2)C)c1cccc(c1)I)(C#N)C#N
STK833139
Synonyms: N-benzyl-6-methyl-2-phenylquinoline-4-carboxamide
Smiles: Cc1ccc2c(c1)c(cc(n2)c1ccccc1)C(=O)NCc1ccccc1
STK833140
Synonyms: 2-[(4-methylphenyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
Smiles: O=Cc1c(Nc2ccc(cc2)C)nc2n(c1=O)cccc2
STK833142
Synonyms: 2-[(3-nitro-4-propoxybenzyl)sulfanyl]-4,5-dihydro-1H-imidazole
Smiles: CCCOc1ccc(cc1[N+](=O)[O-])CSC1=NCCN1
STK833143
Synonyms: 8-(piperidin-1-yl)-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Smiles: CCCc1nc2sc3c(c2c2c1CCCC2)ncnc3N1CCCCC1
STK833144
Synonyms: ethyl7-cyano-6-{[(E)-(dimethylamino)methylidene]amino}-2,3-dihydro-1H-pyrrolizine-5-carboxylate
Smiles: CCOC(=O)c1c(/N=C/N(C)C)c(c2n1CCC2)C#N
STK833145
Synonyms: 11,12,13,14-tetrahydro-10H-cyclohepta[4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine
Smiles: C1CCc2c(CC1)c1c(s2)n2cnnc2n2c1nnc2
STK833147
Synonyms: N-[(1Z)-3-[(3-hydroxypropyl)amino]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Smiles: OCCCNC(=O)/C(=C/c1ccc(cc1)[N+](=O)[O-])/NC(=O)c1ccccc1
STK833148
Synonyms: 3-phenyl-2-(prop-2-en-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: C=CCSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCCC3
STK833149
Synonyms: 3-(2-phenylethyl)-2-(prop-2-en-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: C=CCSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCCC3
STK833150
Synonyms: 1-(benzyloxy)-3-phenylquinoxalin-2(1H)-one4-oxide
Smiles: O=c1n(OCc2ccccc2)c2ccccc2[n+](c1c1ccccc1)[O-]
STK833151
Synonyms: ethyl2-{[(4-amino-3-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)c2ccc(c(c2)[N+](=O)[O-])N)sc2c1CCCC2
STK833152
Synonyms: N-{(1E)-1-(4-bromophenyl)-3-[(2-hydroxyethyl)amino]-3-oxoprop-1-en-2-yl}benzamide
Smiles: OCCNC(=O)/C(=C\c1ccc(cc1)Br)/NC(=O)c1ccccc1
STK833154
Synonyms: N-{(1E)-1-(2-fluorophenyl)-3-[(4-methylphenyl)amino]-3-oxoprop-1-en-2-yl}benzamide
Smiles: Cc1ccc(cc1)NC(=O)/C(=C\c1ccccc1F)/NC(=O)c1ccccc1
STK833155
Synonyms: 2-amino-4,6-di-tert-butylphenol
Smiles: Nc1cc(cc(c1O)C(C)(C)C)C(C)(C)C
STK833156
Synonyms: (2E)-1-(2,4-dinitrophenyl)-2-(heptan-2-ylidene)hydrazine
Smiles: CCCCC/C(=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/C
STK833158
Synonyms: 3-amino-2-(phenylamino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: Nn1c(Nc2ccccc2)nc2c(c1=O)c1CCCCc1s2
STK833159
Synonyms: 2-{[(3-bromophenyl)carbonyl]amino}-N-(2-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Smiles: COc1ccccc1NC(=O)c1c(sc2c1CCCCC2)NC(=O)c1cccc(c1)Br
STK833160
Synonyms: 6-amino-8-(2-chloro-6-fluorophenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C(C(C2C1=CCN(C2)C)c1c(F)cccc1Cl)(C#N)C#N
STK833161
Synonyms: 2-{[2-(1-benzofuran-2-yl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: C=CCn1c(SCC(=O)c2cc3c(o2)cccc3)nc2c(c1=O)c1CCCCc1s2
STK833162
Synonyms: N-(2-{(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl}-2-oxoethyl)-1,3-benzodioxole-5-carboxamide(non-preferredname)
Smiles: O=C(N/N=C(/c1ccco1)\C)CNC(=O)c1ccc2c(c1)OCO2
STK833163
Synonyms: N'-[(1E)-1-(furan-2-yl)ethylidene]-2-[2-(pyridin-2-yl)-1H-benzimidazol-1-yl]acetohydrazide
Smiles: O=C(Cn1c(nc2c1cccc2)c1ccccn1)N/N=C(/c1ccco1)\C
STK833166
Synonyms: 3-(prop-2-en-1-yl)-2-(prop-2-yn-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: C=CCn1c(SCC#C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1
STK833167
Synonyms: 4-(pentyloxy)benzylcarbamimidothioate
Smiles: CCCCCOc1ccc(cc1)CSC(=N)N
STK833169
Synonyms: 6-[butyl(methyl)amino]-8-ethyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Smiles: CCCCN(c1nc(CC)c2c(c1C#N)CC(OC2)(C)C)C
STK833170
Synonyms: 2-[(Z)-(5-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-3-(3-methylphenyl)quinazolin-4(3H)-one
Smiles: Cc1ccc2c(c1)/C(=C/c1nc3ccccc3c(=O)n1c1cccc(c1)C)/C(=O)N2
STK833171
Synonyms: 3-amino-7,7-dimethyl-7,8-dihydro-5H-thieno[2,3-b]thiopyrano[3,4-e]pyridine-2-carbohydrazide
Smiles: NNC(=O)c1sc2c(c1N)cc1c(n2)CC(SC1)(C)C
STK833172
Synonyms: N-{4-[(1-bromonaphthalen-2-yl)oxy]-3-chlorophenyl}-1,3-benzodioxole-5-carboxamide
Smiles: O=C(c1ccc2c(c1)OCO2)Nc1ccc(c(c1)Cl)Oc1ccc2c(c1Br)cccc2
STK833173
Synonyms: ethyl(2Z)-2-(2-chloro-6-fluorobenzylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C/c1c(F)cccc1Cl)/s2
STK833174
Synonyms: 5-propyl-8-(pyrrolidin-1-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Smiles: CCCc1nc2sc3c(c2c2c1CCCC2)ncnc3N1CCCC1
STK833175
Synonyms: N'-(naphthalen-1-yl)-4-nitro-N'-phenylbenzohydrazide
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])NN(c1cccc2c1cccc2)c1ccccc1
STK833176
Synonyms: methyl(2Z)-7-methyl-3-oxo-2-(2-oxo-1-propyl-1,2-dihydro-3H-indol-3-ylidene)-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCCN1C(=O)/C(=c/2\sc3=NC(=C(C(n3c2=O)c2cccs2)C(=O)OC)C)/c2c1cccc2
STK833178
Synonyms: 8-benzyl-6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Smiles: N#Cc1c(nc(c2c1CC(C)(C)OC2)Cc1ccccc1)N1CCN(CC1)C(=O)c1ccco1
STK833179
Synonyms: 1-benzyl-3-[3-(1-benzyl-5-oxo-2-thioxoimidazolidin-4-yl)propyl]thiourea
Smiles: S=C(NCc1ccccc1)NCCCC1NC(=S)N(C1=O)Cc1ccccc1
STK833180
Synonyms: 3,3-dimethyl-6-(pentylsulfanyl)-8-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Smiles: CCCCCSc1nc(N2CCCC2)c2c(c1C#N)CC(OC2)(C)C
STK833181
Synonyms: N-{2-[(2E)-2-(5-bromo-2-methoxybenzylidene)hydrazinyl]-2-oxoethyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide(non-preferredname)
Smiles: COc1ccc(cc1/C=N/NC(=O)CNC(=O)c1ccc2c(c1)OCCO2)Br
STK833184
Synonyms: 2-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile
Smiles: COc1ccc(cc1)c1c(C#N)c(oc1c1ccc(cc1)OC)/N=C/c1ccc(c(c1)[N+](=O)[O-])Cl
STK833187
Synonyms: 1-(3,5-dibromo-2-hydroxy-4-methylphenyl)ethanone
Smiles: CC(=O)c1cc(Br)c(c(c1O)Br)C
STK833190
Synonyms: 4-(4-methoxybenzyl)-1-(pentylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: CCCCCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2Cc1ccc(cc1)OC)CCCCC3
STK833193
Synonyms: 3-bromo-5-chloro-N-{4-chloro-3-[(4-chlorophenyl)carbonyl]phenyl}-2-hydroxybenzamide
Smiles: Clc1ccc(cc1)C(=O)c1cc(ccc1Cl)NC(=O)c1cc(Cl)cc(c1O)Br
STK833194
Synonyms: 2-[(2E)-2-benzylidenehydrazinyl]-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: O=c1[nH]c(N/N=C/c2ccccc2)nc2c1c1CC(C)(C)OCc1s2
STK833196
Synonyms: 2-[(E)-({2-[2-ethyl-4-(2-methoxyphenyl)-2-methyltetrahydro-2H-pyran-4-yl]ethyl}imino)methyl]phenol
Smiles: COc1ccccc1C1(CCOC(C1)(C)CC)CC/N=C/c1ccccc1O
STK833197
Synonyms: methyl3-[(ethoxycarbonyl)amino]-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxylate
Smiles: CCOC(=O)Nc1ccc2c(c1)N(C(=O)OC)c1ccccc1CC2
STK833198
Synonyms: (3Z)-3-{2-[4-(2-chloroethyl)phenyl]-2-oxoethylidene}-1,3-dihydro-2H-indol-2-one
Smiles: ClCCc1ccc(cc1)C(=O)/C=C/1\C(=O)Nc2c1cccc2
STK833199
Synonyms: 4-[4-(benzyloxy)phenyl]-2,3-dihydro-1H-benzo[f]cyclopenta[c]quinoline
Smiles: c1ccc(cc1)COc1ccc(cc1)c1nc2ccc3c(c2c2c1CCC2)cccc3
STK833201
Synonyms: (2E,2'E)-2,2'-[(2-hydroxy-5-methylbenzene-1,3-diyl)di(E)methylylidene]dihydrazinecarboxamide
Smiles: NC(=O)N/N=C/c1cc(C)cc(c1O)/C=N/NC(=O)N
STK833202
Synonyms: (3Z,5E)-3,5-bis(4-fluorobenzylidene)-1-(propan-2-yl)piperidin-4-one
Smiles: CC(N1C/C(=C/c2ccc(cc2)F)/C(=O)/C(=C/c2ccc(cc2)F)/C1)C
STK833206
Synonyms: 2-(butylsulfanyl)-3-(2-phenylethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: CCCCSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCCC3
STK833207
Synonyms: ethyl2-{[(3,4-dimethoxyphenyl)acetyl]amino}-5-ethylthiophene-3-carboxylate
Smiles: CCOC(=O)c1cc(sc1NC(=O)Cc1ccc(c(c1)OC)OC)CC
STK833209
Synonyms: 4-(4-methoxyphenyl)-2-[(pyridin-2-ylmethyl)sulfanyl]-6-(thiophen-2-yl)pyridine-3-carbonitrile
Smiles: COc1ccc(cc1)c1cc(nc(c1C#N)SCc1ccccn1)c1cccs1
STK833211
Synonyms: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexylquinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)C(=O)CSc1nc2ccccc2c(=O)n1C1CCCCC1
STK833212
Synonyms: 6-ethyl-6-methyl-10-phenyl-5,6,9,10-tetrahydro-7H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-7-one
Smiles: CCC1(C)Cc2ccccc2c2c1c(=O)n1c(n2)SC(C1)c1ccccc1
STK833214
Synonyms: 3-(cyclohexylmethyl)-2-[(2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: O=c1n(CC2CCCCC2)c(SCCc2ccccc2)nc2c1C1(CCCCC1)Cc1c2cccc1
STK833215
Synonyms: ethyl(2E)-2-cyano-3-{3-[(4-nitrophenyl)amino]-1H-indol-2-yl}prop-2-enoate
Smiles: CCOC(=O)/C(=C/c1[nH]c2c(c1Nc1ccc(cc1)[N+](=O)[O-])cccc2)/C#N
STK833216
Synonyms: 4,6-dichloro-2-(methylsulfanyl)-5-(4-propoxybenzyl)pyrimidine
Smiles: CCCOc1ccc(cc1)Cc1c(Cl)nc(nc1Cl)SC
STK833217
Synonyms: 2-[(3,4-dichlorobenzyl)sulfanyl]-6,6-dimethyl-3-(2-methylprop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CC(=C)Cn1c(SCc2ccc(c(c2)Cl)Cl)nc2c(c1=O)c1CC(C)(C)OCc1s2
STK833219
Synonyms: 1-[7-methoxy-3-(3-nitrophenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl]ethanone
Smiles: COc1ccc2c(c1)CCC1C2=NN(C1c1cccc(c1)[N+](=O)[O-])C(=O)C
STK833220
Synonyms: 3-(3-methyl-1H-pyrazol-1-yl)propanamide
Smiles: Cc1ccn(n1)CCC(=O)N
STK833221
Synonyms: 2-amino-4-(4-methoxyphenyl)-7-methyl-3-nitro-4H,5H-pyrano[4,3-b]pyran-5-one
Smiles: COc1ccc(cc1)C1C(=C(N)Oc2c1c(=O)oc(c2)C)[N+](=O)[O-]
STK833222
Synonyms: methyl(2E)-2-(3,4-dimethoxybenzylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C\c1ccc(c(c1)OC)OC)/s2)C(=O)OC
STK833224
Synonyms: 2-[(3,4-dichlorobenzyl)sulfanyl]-3-ethyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CCn1c(SCc2ccc(c(c2)Cl)Cl)nc2c(c1=O)c1CCCc1s2
STK833226
Synonyms: 3-(4-methoxyphenyl)-2-(prop-2-yn-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: C#CCSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)OC)CCCCC3
STK833227
Synonyms: 2-(6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)-N-(prop-2-en-1-yl)hydrazinecarbothioamide
Smiles: C=CCNC(=S)NNc1ncnc2c1c1CC(C)(C)OCc1s2
STK833228
Synonyms: 2-(butylsulfanyl)-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: C=CCn1c(SCCCC)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1
STK833229
Synonyms: [(2-chlorophenyl)(3-hydroxy-5-methyl-1H-pyrazol-4-yl)methyl]propanedinitrile
Smiles: N#CC(C(c1c(C)[nH]nc1O)c1ccccc1Cl)C#N
STK833231
Synonyms: 4-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzaldehyde
Smiles: O=Cc1ccc(cc1)N1CCC(=N1)c1ccc(cc1)C
STK833232
Synonyms: 6-iodo-3-(2-methoxyphenyl)-2-methylquinazolin-4(3H)-one
Smiles: COc1ccccc1n1c(C)nc2c(c1=O)cc(cc2)I
STK833233
Synonyms: N-hexyl-5-methyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine
Smiles: CCCCCCNc1ncnc2c1sc1c2c2CCCCc2c(n1)C
STK833235
Synonyms: 2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: C=CCn1c(SCC(=O)c2ccc(cc2)OC)nc2c(c1=O)c1CCCCc1s2
STK833236
Synonyms: N-cyclohexyl-2,2-dimethyl-5-phenyl-2,3-dihydro-1H-pyrano[3'',2'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
Smiles: CC1(C)COc2c(C1)c1c(nc2c2ccccc2)sc2c1ncnc2NC1CCCCC1
STK833237
Synonyms: 7-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-4-methyl-2H-chromen-2-one
Smiles: O=c1cc(C)c2c(o1)cc(cc2)Oc1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
STK833238
Synonyms: 1-{3-[3-chloro-4-(3-methylbutoxy)phenyl]propyl}-3-phenylthiourea
Smiles: CC(CCOc1ccc(cc1Cl)CCCNC(=S)Nc1ccccc1)C
STK833239
Synonyms: 6-amino-4-(2,4-difluorophenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(cc1F)F)c(C)[nH]n2
STK833240
Synonyms: 3-(cyclohexylmethyl)-2-(methylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: CSc1nc2c3ccccc3CC3(c2c(=O)n1CC1CCCCC1)CCCCC3
STK833241
Synonyms: 2-(ethylsulfanyl)-3-(4-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: CCSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)CCCCC3
STK833242
Synonyms: 6-bromo-1',3',3'-trimethyl-1',3'-dihydrospiro[chromene-2,2'-indole]
Smiles: Brc1ccc2c(c1)C=CC1(O2)N(C)c2c(C1(C)C)cccc2
STK833243
Synonyms: (2E)-2-[5-chloro-1-(2-chloroethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]hydrazinecarbothioamide
Smiles: ClCCN1C(=O)/C(=N/NC(=S)N)/c2c1ccc(c2)Cl
STK833244
Synonyms: methyl(2Z)-2-(2-chloro-6-fluorobenzylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C/c1c(F)cccc1Cl)/s2)C(=O)OC
STK833247
Synonyms: N-{4-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]phenyl}morpholine-4-carbothioamide
Smiles: CSc1nnc(o1)c1ccc(cc1)NC(=S)N1CCOCC1
STK833249
Synonyms: 2-(butylsulfanyl)-3-cyclopentyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CCCCSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCCC1)CCCC3
STK833251
Synonyms: 1,5-dimethyl-3,7-bis[(4-methylphenyl)sulfonyl]-3,7-diazabicyclo[3.3.1]nonan-9-one
Smiles: O=C1C2(C)CN(CC1(C)CN(C2)S(=O)(=O)c1ccc(cc1)C)S(=O)(=O)c1ccc(cc1)C
STK833252
Synonyms: 5-(3-methyl-4-propoxybenzyl)-2-(methylsulfanyl)pyrimidine-4,6-diol
Smiles: CCCOc1ccc(cc1C)Cc1c(O)nc(nc1O)SC
STK833253
Synonyms: (5Z)-2,3-diphenyl-5-[4-(propan-2-yloxy)benzylidene]-3,5-dihydro-4H-imidazol-4-one
Smiles: CC(Oc1ccc(cc1)/C=C/1\N=C(N(C1=O)c1ccccc1)c1ccccc1)C
STK833254
Synonyms: 8,8-dimethyl-3-phenyl-2-sulfanyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Smiles: Sc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1ccccc1
STK833255
Synonyms: (5E)-5-(4-methylbenzylidene)-3-[3-oxo-3-(10H-phenothiazin-10-yl)propyl]-1,3-thiazolidine-2,4-dione
Smiles: Cc1ccc(cc1)/C=C\1/SC(=O)N(C1=O)CCC(=O)N1c2ccccc2Sc2c1cccc2
STK833257
Synonyms: N-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-4-methylbenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)Nc1c(=O)[nH]c2c(c1c1ccccc1)cc(cc2)Cl
STK833259
Synonyms: 5,7-dimethoxy-1',3',3'-trimethyl-6-nitro-1',3'-dihydrospiro[chromene-2,2'-indole]
Smiles: COc1cc2OC3(C=Cc2c(c1[N+](=O)[O-])OC)N(C)c1c(C3(C)C)cccc1
STK833260
Synonyms: N,N'-hexane-1,6-diylbis(5-hydroxypyridine-3-carboxamide)
Smiles: Oc1cncc(c1)C(=O)NCCCCCCNC(=O)c1cncc(c1)O
STK833261
Synonyms: 2-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N,N-diethylacetamide
Smiles: CCN(C(=O)CN1C(=O)C2C(C1=O)CC(=CC2)Cl)CC
STK833262
Synonyms: 5-bromo-2-methoxybenzylcarbamimidothioate
Smiles: COc1ccc(cc1CSC(=N)N)Br
STK833263
Synonyms: N~1~-[(E)-(4-methoxyphenyl)methylidene]-4,5-diphenyl-1H-imidazole-1,2-diamine
Smiles: COc1ccc(cc1)/C=N/n1c(N)nc(c1c1ccccc1)c1ccccc1
STK833266
Synonyms: N'-[4-(2-methyl-5-oxo-4-propyltetrahydrofuran-2-yl)-1,3-thiazol-2-yl]benzohydrazide
Smiles: CCCC1CC(OC1=O)(C)c1csc(n1)NNC(=O)c1ccccc1
STK833267
Synonyms: 2,2-dimethyl-5-(morpholin-4-yl)-N-(tetrahydrofuran-2-ylmethyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
Smiles: CC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1ncnc2NCC1CCCO1
STK833269
Synonyms: ethylN-{(2E)-3-(4-bromophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}valinate
Smiles: CCOC(=O)C(C(C)C)NC(=O)/C(=C\c1ccc(cc1)Br)/NC(=O)c1ccccc1
STK833270
Synonyms: 5-(2-chlorophenyl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Smiles: O=C1CCCC2=C1C(Nc1c2c2ccccc2cc1)c1ccccc1Cl
STK833272
Synonyms: 6-chloro-5-(4-ethoxybenzyl)-N,N-diethyl-2-(methylsulfanyl)pyrimidin-4-amine
Smiles: CCOc1ccc(cc1)Cc1c(Cl)nc(nc1N(CC)CC)SC
STK833274
Synonyms: 3-(cyclopentylmethyl)-2-sulfanylquinazolin-4(3H)-one
Smiles: Sc1nc2ccccc2c(=O)n1CC1CCCC1
STK833276
Synonyms: methyl(2Z)-2-[4-(dimethylamino)benzylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: COC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C/c1ccc(cc1)N(C)C)/s2
STK833277
Synonyms: ethyl(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indol]-1'(2'H)-yl)acetate
Smiles: CCOC(=O)CN1c2ccc(cc2C2(C1=O)OCCO2)Br
STK833278
Synonyms: 2-(benzylsulfanyl)-3-(cyclohexylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: O=c1n(CC2CCCCC2)c(SCc2ccccc2)nc2c1C1(CCCCC1)Cc1c2cccc1
STK833279
Synonyms: (8S,8aS)-6-amino-8-(2-fluorophenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@H]([C@H]2C1=CCN(C2)C(C)C)c1ccccc1F)(C#N)C#N
STK833282
Synonyms: N-(2-{(2E)-2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl}-2-oxoethyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide(non-preferredname)
Smiles: CCOc1ccc2c(c1/C=N/NC(=O)CNC(=O)C1COc3c(O1)cccc3)cccc2
STK833284
Synonyms: N-[(1E)-1-(4-bromophenyl)-3-oxo-3-(phenylamino)prop-1-en-2-yl]benzamide
Smiles: Brc1ccc(cc1)/C=C(\C(=O)Nc1ccccc1)/NC(=O)c1ccccc1
STK833285
Synonyms: 6,7-dimethoxy-2-[(2-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2CN(CCc2cc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-]
STK833287
Synonyms: 6-chloro-11H-indolo[3,2-c]quinoline
Smiles: Clc1nc2ccccc2c2c1c1ccccc1[nH]2
STK833288
Synonyms: 2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: C=CCn1c(SCC(=O)c2ccc(c(c2)OC)OC)nc2c(c1=O)c1CCCCc1s2
STK833289
Synonyms: (3E)-3-[2-(4-methylphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Smiles: Cc1ccc(cc1)C(=O)/C=c\1/[nH]c2ccccc2oc1=O
STK833292
Synonyms: 6-iodo-2-methyl-3-(4-methylphenyl)quinazolin-4(3H)-one
Smiles: Cc1ccc(cc1)n1c(C)nc2c(c1=O)cc(cc2)I
STK833294
Synonyms: 10-amino-7,11-dicyano-3-methyl-9-aza-3-azoniaspiro[5.5]undeca-7,10-diene-8-thiolate
Smiles: N#CC1=C([S-])NC(=C(C21CC[NH+](CC2)C)C#N)N
STK833295
Synonyms: 4-butoxybenzylcarbamimidothioate
Smiles: CCCCOc1ccc(cc1)CSC(=N)N
STK833296
Synonyms: 2,2-dimethyl-4-(thiophen-2-yl)-2H-imidazole1,3-dioxide
Smiles: [O-][N+]1=CC(=[N+](C1(C)C)[O-])c1cccs1
STK833297
Synonyms: N'-{(E)-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylidene}pyridine-3-carbohydrazide
Smiles: OCc1cnc(c(c1/C=N/NC(=O)c1cccnc1)O)C
STK833298
Synonyms: N-[(1Z)-1-(4-nitrophenyl)-3-oxo-3-(phenylamino)prop-1-en-2-yl]benzamide
Smiles: O=C(/C(=C/c1ccc(cc1)[N+](=O)[O-])/NC(=O)c1ccccc1)Nc1ccccc1
STK833299
Synonyms: 2-(butylsulfanyl)-3-(cyclohexylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CCCCSc1nc2c3ccccc3CC3(c2c(=O)n1CC1CCCCC1)CCCC3
STK833300
Synonyms: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-ethylquinazolin-4(3H)-one
Smiles: CCn1c(SCC(=O)c2ccc(cc2)Cl)nc2c(c1=O)cccc2
STK833301
Synonyms: ethenyl{[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate
Smiles: C=COC(=O)CSc1nc(cc(c1C#N)C(F)(F)F)c1ccccc1
STK833302
Synonyms: 2-[(2E)-2-(4-chlorobenzylidene)hydrazinyl]-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Clc1ccc(cc1)/C=N/Nc1nc2sc3c(c2c(=O)[nH]1)CC(OC3)(C)C
STK833303
Synonyms: 1-{3-[(2-amino-4,6-dihydroxypyrimidin-5-yl)methyl]-4-(propan-2-yloxy)phenyl}ethanone
Smiles: CC(Oc1ccc(cc1Cc1c(O)nc(nc1O)N)C(=O)C)C
STK833306
Synonyms: 8-methyl-N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
Smiles: Cc1ccccc1NC(=O)c1cc(nc2c1cccc2C)c1ccccc1
STK833309
Synonyms: ethyl3-{[N-(4,5-dimethyl-1,3-thiazol-2-yl)glycyl]amino}-5-methoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CNc1sc(c(n1)C)C)cc(cc2)OC
STK833311
Synonyms: methyl(2Z)-2-(furan-2-ylmethylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: COC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C/c1ccco1)/s2
STK833312
Synonyms: methyl(2Z)-2-(2-chloro-6-fluorobenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C/c1c(F)cccc1Cl)/s2
STK833314
Synonyms: ethyl5-[(carbamimidoylsulfanyl)methyl]-3-hexyl-2-oxotetrahydrofuran-3-carboxylate(non-preferredname)
Smiles: CCCCCCC1(CC(OC1=O)CSC(=N)N)C(=O)OCC
STK833317
Synonyms: 4-{(E)-[2-(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl}benzene-1,3-diol
Smiles: Oc1ccc(c(c1)O)/C=N/Nc1nnc2c(n1)n(C)c1c2cccc1
STK833320
Synonyms: 1-(4-ethoxy-3-nitrobenzyl)-1H-imidazole
Smiles: CCOc1ccc(cc1[N+](=O)[O-])Cn1cncc1
STK833322
Synonyms: 5-butyl-2,2-dimethyl-N-(2-methylpropyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
Smiles: CCCCc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3NCC(C)C
STK833325
Synonyms: 5-(4-bromophenyl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Smiles: Brc1ccc(cc1)C1Nc2ccc3c(c2C2=C1C(=O)CCC2)cccc3
STK833328
Synonyms: ethyl(2E)-5-[4-(acetyloxy)phenyl]-7-methyl-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)/c(=C\c1cccnc1)/s2
STK833329
Synonyms: 5-(morpholin-4-yl)-N-(2-phenylethyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine
Smiles: O1CCN(CC1)c1nc2sc3c(c2c2c1CCCC2)ncnc3NCCc1ccccc1
STK833331
Synonyms: 6-iodo-2-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)C)c1ccccc1C
STK833332
Synonyms: methyl6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)-4H-pyran-3-carboxylate
Smiles: COC(=O)C1=C(C)OC(=C(C1c1ccc(cc1)[N+](=O)[O-])C#N)N
STK833333
Synonyms: 5-(furan-2-yl)-N-(3-methylbutyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine
Smiles: CC(CCNc1ncnc2c1sc1c2c2CCCCc2c(n1)c1ccco1)C
STK833334
Synonyms: 6-acetyl-2,5-dimethyl-1,7-diphenyl-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile
Smiles: N#Cc1c2nc(C)c(c(c2n(c1C)c1ccccc1)c1ccccc1)C(=O)C
STK833335
Synonyms: 2-[(2,2-dimethyl-5-phenyl-2,3-dihydro-1H-pyrano[3'',2'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amino]ethanol
Smiles: OCCNc1ncnc2c1sc1c2c2CC(C)(C)COc2c(n1)c1ccccc1
STK833336
Synonyms: 2-(butylsulfanyl)-3-(4-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: CCCCSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)OC)CCCCC3
STK833338
Synonyms: N-[(1Z)-3-[(2-hydroxyethyl)amino]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Smiles: OCCNC(=O)/C(=C/c1ccc(cc1)[N+](=O)[O-])/NC(=O)c1ccccc1
STK833340
Synonyms: 5,5'-di-tert-butyl-1,1'-diphenyl-1H,1'H-3,3'-bipyrazole
Smiles: CC(c1cc(nn1c1ccccc1)c1cc(n(n1)c1ccccc1)C(C)(C)C)(C)C
STK833341
Synonyms: 7-(4-bromobenzyl)-8-[(3-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCCNc1nc2c(n1Cc1ccc(cc1)Br)c(=O)n(c(=O)n2C)C
STK833342
Synonyms: 4-(2-chlorophenyl)-2,3-dihydro-1H-benzo[f]cyclopenta[c]quinoline
Smiles: Clc1ccccc1c1nc2ccc3c(c2c2c1CCC2)cccc3
STK833343
Synonyms: 4-(2-chloro-6-fluorophenyl)-2,3-dihydro-1H-benzo[f]cyclopenta[c]quinoline
Smiles: Fc1cccc(c1c1nc2ccc3c(c2c2c1CCC2)cccc3)Cl
STK833344
Synonyms: 4-(4-methoxyphenyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: COc1ccc(cc1)n1c2nncn2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK833345
Synonyms: dimethyl2-(2,4-dichlorophenoxy)-5-nitrobenzene-1,4-dicarboxylate
Smiles: COC(=O)c1cc([N+](=O)[O-])c(cc1Oc1ccc(cc1Cl)Cl)C(=O)OC
STK833346
Synonyms: {[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetonitrile
Smiles: C=CCn1c(SCC#N)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK833347
Synonyms: 3-(cyclohexylmethyl)-2-sulfanylquinazolin-4(3H)-one
Smiles: Sc1nc2ccccc2c(=O)n1CC1CCCCC1
STK833348
Synonyms: 2-[(2-hydroxyethyl)amino]-3-(4-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: OCCNc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)CCCC3
STK833349
Synonyms: [(3-cyclohexyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetonitrile
Smiles: N#CCSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCCCC1)CCCCC3
STK833352
Synonyms: methyl(2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-(2-oxo-1-propyl-1,2-dihydro-3H-indol-3-ylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCCN1c2ccccc2/C(=c\2/sc3=NC(=C(C(n3c2=O)c2ccc(cc2)OC)C(=O)OC)C)/C1=O
STK833354
Synonyms: 17-[2-(1H-indol-3-yl)ethyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione(non-preferredname)
Smiles: O=C1N(CCc2c[nH]c3c2cccc3)C(=O)C2C1C1c3ccccc3C2c2c1cccc2
STK833355
Synonyms: 1-benzyl-2-methyl-5-nitro-1H-indole-3-carbonitrile
Smiles: N#Cc1c(C)n(c2c1cc(cc2)[N+](=O)[O-])Cc1ccccc1
STK833357
Synonyms: 2-[(Z)-(1-benzyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-3-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)n1c(/C=C/2\C(=O)N(c3c2cccc3)Cc2ccccc2)nc2c(c1=O)cccc2
STK833358
Synonyms: ethyl{[3-(4-methylphenyl)-4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCCC3
STK833361
Synonyms: N'-[(E)-(2-methoxyphenyl)methylidene]-2-oxo-2H-chromene-3-carbohydrazide
Smiles: COc1ccccc1/C=N/NC(=O)c1cc2ccccc2oc1=O
STK833362
Synonyms: ethyl[(3-cyclopentyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCCC1)CCCCC3
STK833363
Synonyms: 2,2-dimethyl-5-(2-methylpropyl)-8-(piperidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CC(Cc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3N1CCCCC1)C
STK833365
Synonyms: 4-chloro-2-{(E)-[(4-phenyl-1-{[(E)-phenylmethylidene]amino}-1H-imidazol-2-yl)imino]methyl}phenol
Smiles: Clc1ccc(c(c1)/C=N/c1nc(cn1/N=C/c1ccccc1)c1ccccc1)O
STK833367
Synonyms: N-{1,1-bis[4-(dimethylamino)phenyl]-3-oxo-1,3-dihydro-2-benzofuran-5-yl}acetamide
Smiles: CC(=O)Nc1ccc2c(c1)C(=O)OC2(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C
STK833369
Synonyms: N-[(1E)-1-(1,3-benzodioxol-5-yl)-3-(benzylamino)-3-oxoprop-1-en-2-yl]-4-(2-methylpropoxy)benzamide
Smiles: CC(COc1ccc(cc1)C(=O)N/C(=C/c1ccc2c(c1)OCO2)/C(=O)NCc1ccccc1)C
STK833371
Synonyms: 3-(cyclohexylmethyl)-2-(ethylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CCSc1nc2c3ccccc3CC3(c2c(=O)n1CC1CCCCC1)CCCC3
STK833372
Synonyms: 8-bromo-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C
STK833373
Synonyms: [(5-hydroxy-3-methyl-1H-pyrazol-4-yl)(4-methylphenyl)methyl]propanedinitrile
Smiles: N#CC(C(c1c(C)n[nH]c1O)c1ccc(cc1)C)C#N
STK833374
Synonyms: 2-cyano-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
Smiles: N#CCC(=O)NCCCc1ccc(c(c1)OC)OC
STK833376
Synonyms: 2-(methylsulfanyl)-3-(2-phenylethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCCC3
STK833378
Synonyms: 2-hydroxy-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile
Smiles: COCc1c([N+](=O)[O-])c(C)nc(c1C#N)O
STK833380
Synonyms: dimethyl2-(4-chlorophenoxy)-5-nitrobenzene-1,4-dicarboxylate
Smiles: COC(=O)c1cc([N+](=O)[O-])c(cc1Oc1ccc(cc1)Cl)C(=O)OC
STK833381
Synonyms: 3,5-dichloro-N-{5-chloro-2-[(1-chloronaphthalen-2-yl)oxy]phenyl}-2-hydroxybenzamide
Smiles: Clc1ccc(c(c1)NC(=O)c1cc(Cl)cc(c1O)Cl)Oc1ccc2c(c1Cl)cccc2
STK833383
Synonyms: ethyl2-amino-1-[2-(cyclohex-1-en-1-yl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: CCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)CCC1=CCCCC1
STK833384
Synonyms: 3-cyclohexyl-2-(prop-2-en-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: C=CCSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCCCC1)CCCCC3
STK833385
Synonyms: 1-{3-[(4,6-dihydroxy-2-sulfanylpyrimidin-5-yl)methyl]-4-(propan-2-yloxy)phenyl}ethanone
Smiles: CC(Oc1ccc(cc1Cc1c(O)nc(nc1O)S)C(=O)C)C
STK833386
Synonyms: 2-(ethoxymethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CCOCc1nc2c3ccccc3CC3(c2c(=O)[nH]1)CCCC3
STK833387
Synonyms: 6-amino-2,3,8a-trimethyl-8-phenyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C(C(C2(C1=CC(C)N(C2)C)C)c1ccccc1)(C#N)C#N
STK833388
Synonyms: {[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetonitrile
Smiles: N#CCSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3
STK833389
Synonyms: ethylN-[(4-butoxyphenyl)carbonyl]glycylglycinate
Smiles: CCCCOc1ccc(cc1)C(=O)NCC(=O)NCC(=O)OCC
STK833393
Synonyms: 3-cyclohexyl-2-(prop-2-yn-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: C#CCSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCCCC1)CCCC3
STK833394
Synonyms: 3-(2'-oxospiro[1,3-dioxolane-2,3'-indol]-1'(2'H)-yl)propanenitrile
Smiles: N#CCCN1c2ccccc2C2(C1=O)OCCO2
STK833395
Synonyms: 3',3'-dimethyl-6-nitro-1'-phenyl-1',3'-dihydrospiro[chromene-2,2'-indole]
Smiles: [O-][N+](=O)c1ccc2c(c1)C=CC1(O2)N(c2ccccc2)c2c(C1(C)C)cccc2
STK833396
Synonyms: 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)phenoxy]acetamide
Smiles: N#CC1=C(N)OC2=C(C1c1ccc(cc1)OCC(=O)N)C(=O)CC(C2)(C)C
STK833397
Synonyms: 10-(3-chloropropyl)-2-nitro-10H-indolo[3,2-b]quinoline
Smiles: ClCCCn1c2ccccc2c2c1cc1cc(ccc1n2)[N+](=O)[O-]
STK833399
Synonyms: 2,6-dimethoxy-4-[(E)-(phenylimino)methyl]phenol
Smiles: COc1cc(/C=N/c2ccccc2)cc(c1O)OC
STK833401
Synonyms: 1-ethoxy-3-(thiophen-2-yl)quinoxalin-2(1H)-one4-oxide
Smiles: CCOn1c(=O)c(c2cccs2)[n+](c2c1cccc2)[O-]
STK833402
Synonyms: methyl4-cyano-3-{[(3,5-dinitrophenyl)carbonyl]amino}-1,5-dimethyl-1H-pyrrole-2-carboxylate
Smiles: COC(=O)c1c(NC(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])c(c(n1C)C)C#N
STK833403
Synonyms: 3-(8-methyl-1,2-dihydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)propanenitrile
Smiles: N#CCCN1CCn2c3c1cccc3c1c2ccc(c1)C
STK833404
Synonyms: 6-ethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCc1cc2c(s1)nc(n(c2=O)c1ccccc1)SCC(=O)c1ccccc1
STK833405
Synonyms: 2,2-dimethyl-5-(morpholin-4-yl)-N-[2-(morpholin-4-yl)ethyl]-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-8-amine
Smiles: CC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1nnnc2NCCN1CCOCC1
STK833406
Synonyms: ethyl{[3-(cyclopentylmethyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC1CCCC1)CCCCC3
STK833407
Synonyms: 2,4-di-tert-butyl-6-({(E)-[4-(diethylamino)phenyl]methylidene}amino)phenol
Smiles: CCN(c1ccc(cc1)/C=N/c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)CC
STK833408
Synonyms: 4-(4-methoxyphenyl)-1-(methylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccc(cc1)OC)CCCCC3
STK833409
Synonyms: 4-(4-amino-3-nitrophenyl)phthalazin-1(2H)-one
Smiles: [O-][N+](=O)c1cc(ccc1N)c1n[nH]c(=O)c2c1cccc2
STK833410
Synonyms: 5-(4-chlorophenyl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Smiles: Clc1ccc(cc1)C1Nc2ccc3c(c2C2=C1C(=O)CCC2)cccc3
STK833411
Synonyms: N-[(4-butoxybenzyl)(2-cyanoethyl)carbamothioyl]benzamide
Smiles: CCCCOc1ccc(cc1)CN(C(=S)NC(=O)c1ccccc1)CCC#N
STK833412
Synonyms: ethyl6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-pyran-3-carboxylate
Smiles: CCOC(=O)C1=C(CSc2nc(C)c(c(c2C#N)C)C)OC(=C(C1c1ccc(cc1)F)C#N)N
STK833414
Synonyms: N-butyl-N-ethyl-2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
Smiles: CCCCN(c1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1)CC
STK833415
Synonyms: 2-[(pyridin-4-ylmethyl)sulfanyl]-4,6-di(thiophen-2-yl)pyridine-3-carbonitrile
Smiles: N#Cc1c(SCc2ccncc2)nc(cc1c1cccs1)c1cccs1
STK833416
Synonyms: 2-methoxyethyl(6-methoxy-1,3-benzothiazol-2-yl)carbamate
Smiles: COCCOC(=O)Nc1sc2c(n1)ccc(c2)OC
STK833417
Synonyms: 5,6-dimethyl-2,3-dihydro-1,4-dithiine1,1,4,4-tetraoxide
Smiles: CC1=C(C)S(=O)(=O)CCS1(=O)=O
STK833418
Synonyms: (4,6-dibromo-5-hydroxy-1-benzofuran-3-yl)(phenyl)methanone
Smiles: O=C(c1coc2c1c(Br)c(c(c2)Br)O)c1ccccc1
STK833420
Synonyms: 2-(4-fluorophenyl)-4-(morpholin-4-yl)-3-phenylbutan-2-ol
Smiles: Fc1ccc(cc1)C(C(c1ccccc1)CN1CCOCC1)(O)C
STK833421
Synonyms: N-benzyl-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine
Smiles: CCCc1nc2sc3c(c2c2c1CCCC2)ncnc3NCc1ccccc1
STK833422
Synonyms: 4-(4-aminophenyl)-N,N-diethylpiperazine-1-carboxamide
Smiles: CCN(C(=O)N1CCN(CC1)c1ccc(cc1)N)CC
STK833424
Synonyms: 3-(4-methylphenyl)-2-(prop-2-en-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: C=CCSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)CCCCC3
STK833425
Synonyms: N-(2-phenylethyl)-2,1,3-benzothiadiazole-4-sulfonamide
Smiles: O=S(=O)(c1cccc2c1nsn2)NCCc1ccccc1
STK833426
Synonyms: ethyl3-amino-7,7-dimethyl-7,8-dihydro-5H-thieno[2,3-b]thiopyrano[3,4-e]pyridine-2-carboxylate
Smiles: CCOC(=O)c1sc2c(c1N)cc1c(n2)CC(SC1)(C)C
STK833427
Synonyms: N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]-3,5-dimethyltricyclo[3.3.1.1~3,7~]decane-1-carbohydrazide
Smiles: Brc1ccc(c(c1)/C=N/NC(=O)C12CC3CC(C2)(CC(C1)(C3)C)C)O
STK833428
Synonyms: 8-butyl-3,3-dimethyl-6-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Smiles: CCCCc1nc(N2CCCC2)c(c2c1COC(C2)(C)C)C#N
STK833429
Synonyms: N-butyl-5-ethyl-N,2,2-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
Smiles: CCCCN(c1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)CC)C
STK833430
Synonyms: N-butyl-2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-8-amine
Smiles: CCCCNc1nnnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1
STK833431
Synonyms: 2-{(E)-2-[4-(dimethylamino)phenyl]ethenyl}-3-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)n1c(/C=C/c2ccc(cc2)N(C)C)nc2c(c1=O)cccc2
STK833433
Synonyms: ethyl6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate
Smiles: CCOC(=O)C1=C(CC(=O)OCC)OC(=C(C1c1ccc(cc1)OC)C#N)N
STK833434
Synonyms: ethyl{[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3
STK833437
Synonyms: ethyl(2Z)-7-methyl-3-oxo-2-(2-oxo-1-propyl-1,2-dihydro-3H-indol-3-ylidene)-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCCN1C(=O)/C(=c/2\sc3=NC(=C(C(n3c2=O)c2cccs2)C(=O)OCC)C)/c2c1cccc2
STK833438
Synonyms: ethyl3-amino-1-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
Smiles: CCOC(=O)c1c(N)c2c(n1C)ncc(c2)[N+](=O)[O-]
STK833439
Synonyms: 4-chloro-3-nitro-N-(3-sulfamoylphenyl)benzenesulfonamide
Smiles: [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)Nc1cccc(c1)S(=O)(=O)N
STK833442
Synonyms: 6-amino-4-(5-methylfuran-2-yl)-3-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(o1)C)c(n[nH]2)c1ccccc1
STK833444
Synonyms: 8,10-bis(ethylsulfanyl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Smiles: CCSc1nc(SCC)nc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1
STK833445
Synonyms: 4-chloro-N-(2-chloro-5-methoxy-4-nitrophenyl)benzamide
Smiles: COc1cc(NC(=O)c2ccc(cc2)Cl)c(cc1[N+](=O)[O-])Cl
STK833446
Synonyms: 1-(furan-2-yl)-3-(pentylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: CCCCCNc1nc(c2ccco2)c2c(c1C#N)CCCC2
STK833447
Synonyms: 5-butyl-8-chloro-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Smiles: CCCCc1nc2sc3c(c2c2c1CCCC2)ncnc3Cl
STK833448
Synonyms: 8-methyl-N-(4-methylphenyl)-2-phenylquinoline-4-carboxamide
Smiles: Cc1ccc(cc1)NC(=O)c1cc(nc2c1cccc2C)c1ccccc1
STK833449
Synonyms: N-(1,3-benzothiazol-2-yl)-2-{[3-cyano-4,6-di(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetamide
Smiles: N#Cc1c(SCC(=O)Nc2sc3c(n2)cccc3)nc(cc1c1cccs1)c1cccs1
STK833451
Synonyms: 6-iodo-2-methyl-3-(4-nitrophenyl)quinazolin-4(3H)-one
Smiles: Cc1nc2ccc(cc2c(=O)n1c1ccc(cc1)[N+](=O)[O-])I
STK833453
Synonyms: N-(1,3-benzothiazol-2-yl)-2-[(1,5-dicyano-4-oxo-3-azaspiro[5.5]undec-1-en-2-yl)sulfanyl]acetamide
Smiles: N#CC1C(=O)NC(=C(C21CCCCC2)C#N)SCC(=O)Nc1nc2c(s1)cccc2
STK833455
Synonyms: N-[(1Z)-3-(benzylamino)-1-(2-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Smiles: O=C(/C(=C/c1ccccc1[N+](=O)[O-])/NC(=O)c1ccccc1)NCc1ccccc1
STK833456
Synonyms: 4-(4-chlorophenyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Smiles: N#Cc1c(SCC(=O)C(C)(C)C)nc2c(c1c1ccc(cc1)Cl)CCC2
STK833457
Synonyms: 3-methyl-2-(prop-2-en-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: C=CCSc1nc2c3ccccc3CC3(c2c(=O)n1C)CCCC3
STK833458
Synonyms: 6-acetyl-1-(4-bromophenyl)-2,5-dimethyl-7-phenyl-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile
Smiles: N#Cc1c(C)n(c2c1nc(C)c(c2c1ccccc1)C(=O)C)c1ccc(cc1)Br
STK833460
Synonyms: 6-chloro-1',3',3'-trimethyl-8-nitro-1',3'-dihydrospiro[chromene-2,2'-indole]
Smiles: Clc1cc2C=CC3(Oc2c(c1)[N+](=O)[O-])N(C)c1c(C3(C)C)cccc1
STK833461
Synonyms: 2-(benzylsulfanyl)-3-cyclohexyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: O=c1n(C2CCCCC2)c(SCc2ccccc2)nc2c1C1(CCCCC1)Cc1c2cccc1
STK833462
Synonyms: N,N-diethyl-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide
Smiles: CCN(C(=O)N1c2ccccc2CCc2c1cccc2)CC
STK833464
Synonyms: 3-cyclohexyl-2-[(2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: O=c1n(C2CCCCC2)c(SCCc2ccccc2)nc2c1C1(CCCCC1)Cc1c2cccc1
STK833465
Synonyms: (3Z,5E)-1-methyl-3,5-bis(thiophen-3-ylmethylidene)piperidin-4-one
Smiles: CN1C/C(=C/c2cscc2)/C(=O)/C(=C/c2cscc2)/C1
STK833468
Synonyms: 2,2-dimethyl-5-(morpholin-4-yl)-N,N-dipropyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
Smiles: CCCN(c1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1)CCC
STK833472
Synonyms: 2-(butylsulfanyl)-3-cyclopentyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: CCCCSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCCC1)CCCCC3
STK833473
Synonyms: 2-(3-methylpyridinium-1-yl)ethanesulfonate
Smiles: Cc1ccc[n+](c1)CCS(=O)(=O)[O-]
STK833474
Synonyms: 1-(butylsulfanyl)-4-(2-methoxyphenyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: CCCCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1OC)CCCCC3
STK833475
Synonyms: 2-[(pyridin-4-ylmethyl)sulfanyl]-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
Smiles: N#Cc1c(SCc2ccncc2)nc(cc1C(F)(F)F)c1cccs1
STK833476
Synonyms: N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)formamide
Smiles: O=CNC1CCCc2c1[nH]c1c2cc(cc1)F
STK833477
Synonyms: N-(propan-2-yl)-2-(3,6,6-trimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinecarbothioamide
Smiles: CC(NC(=S)NNc1nc2sc3c(c2c(=O)n1C)CC(OC3)(C)C)C
STK833478
Synonyms: 2-(butylsulfanyl)-3-(4-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: CCCCSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)CCCCC3
STK833479
Synonyms: 3,3'-(2-thioxo-1H-benzimidazole-1,3(2H)-diyl)dipropanamide
Smiles: NC(=O)CCn1c2ccccc2n(c1=S)CCC(=O)N
STK833481
Synonyms: 1,7-dibenzyl-8-bromo-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=c1n(Cc2ccccc2)c(=O)c2c(n1C)nc(n2Cc1ccccc1)Br
STK833482
Synonyms: 2-[(2-chloro-4-nitrophenyl)sulfanyl]-1,3-benzothiazole
Smiles: Clc1cc(ccc1Sc1nc2c(s1)cccc2)[N+](=O)[O-]
STK833483
Synonyms: 4,4'-(4,4-dimethyl-3,5-dinitropiperidine-2,6-diyl)bis(N,N-dimethylaniline)
Smiles: CN(c1ccc(cc1)C1NC(c2ccc(cc2)N(C)C)C(C(C1[N+](=O)[O-])(C)C)[N+](=O)[O-])C
STK833484
Synonyms: 2,2-dimethyl-8-(piperidin-1-yl)-5-propyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CCCc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3N1CCCCC1
STK833486
Synonyms: methyl(2Z)-2-(1-acetyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C/1\c3ccccc3N(C1=O)C(=O)C)/s2
STK833489
Synonyms: ethyl{[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)OC)CCCC3
STK833490
Synonyms: N-{(1Z)-1-(4-chlorophenyl)-3-[(4-methylphenyl)amino]-3-oxoprop-1-en-2-yl}benzamide
Smiles: Cc1ccc(cc1)NC(=O)/C(=C/c1ccc(cc1)Cl)/NC(=O)c1ccccc1
STK833491
Synonyms: N-{3-chloro-4-[(5-chloroquinolin-8-yl)oxy]phenyl}-4-nitrobenzamide
Smiles: Clc1cc(ccc1Oc1ccc(c2c1nccc2)Cl)NC(=O)c1ccc(cc1)[N+](=O)[O-]
STK833492
Synonyms: ethyl6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(4-methoxynaphthalen-1-yl)-4H-pyran-3-carboxylate
Smiles: CCOC(=O)C1=C(CC(=O)OCC)OC(=C(C1c1ccc(c2c1cccc2)OC)C#N)N
STK833495
Synonyms: (3E)-4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)pent-3-en-2-one
Smiles: CC(=O)/C=C(/N1N=C(CC1c1ccccc1)c1ccccc1)\C
STK833496
Synonyms: 5-(3-chlorophenyl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Smiles: Clc1cccc(c1)C1Nc2ccc3c(c2C2=C1C(=O)CCC2)cccc3
STK833498
Synonyms: ethyl(2Z)-7-methyl-3-oxo-2-(2-oxo-1-propyl-1,2-dihydro-3H-indol-3-ylidene)-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C/1\c3ccccc3N(C1=O)CCC)/s2
STK833499
Synonyms: 7-benzyl-8-[(2-hydroxyethyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCNc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)C
STK833502
Synonyms: N-[(1E)-1-(2-fluorophenyl)-3-oxo-3-(phenylamino)prop-1-en-2-yl]benzamide
Smiles: O=C(/C(=C\c1ccccc1F)/NC(=O)c1ccccc1)Nc1ccccc1
STK833503
Synonyms: 2,8,8-trimethyl-4-(pyrrolidin-1-yl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: Cc1nc(N2CCCC2)c2c(n1)c1cc3COC(Cc3nc1s2)(C)C
STK833506
Synonyms: 4-(3-methylphenyl)-1-(prop-2-en-1-ylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: C=CCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1cccc(c1)C)CCCCC3
STK833507
Synonyms: 2-[(2-hydroxyethyl)amino]-3-(2-phenylethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: OCCNc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCCC3
STK833508
Synonyms: 3,3-dimethyl-6-[(3-methylbutyl)sulfanyl]-8-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Smiles: N#Cc1c(SCCC(C)C)nc(c2c1CC(C)(C)OC2)N1CCCC1
STK833510
Synonyms: 5-(4-butoxybenzyl)-2-(methylsulfanyl)pyrimidine-4,6-diol
Smiles: CCCCOc1ccc(cc1)Cc1c(O)nc(nc1O)SC
STK833511
Synonyms: 3-{4-[(2-methoxyphenyl)carbonyl]piperazin-1-yl}-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: N#Cc1c(nc(c2c1CCCC2)c1ccccc1)N1CCN(CC1)C(=O)c1ccccc1OC
STK833512
Synonyms: {[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetonitrile
Smiles: N#CCSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCCC3
STK833513
Synonyms: 10-phenyl-9,10-dihydrospiro[benzo[h][1,3]thiazolo[2,3-b]quinazoline-6,1'-cyclohexan]-7(5H)-one
Smiles: O=c1n2CC(Sc2nc2c1C1(CCCCC1)Cc1c2cccc1)c1ccccc1
STK833514
Synonyms: N-[2-hydroxy-3-(morpholin-4-yl)propyl]-N-(2-methoxy-5-nitrophenyl)-4-methylbenzenesulfonamide
Smiles: COc1ccc(cc1N(S(=O)(=O)c1ccc(cc1)C)CC(CN1CCOCC1)O)[N+](=O)[O-]
STK833515
Synonyms: 8-benzyl-6-(4-butanoylpiperazin-1-yl)-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Smiles: CCCC(=O)N1CCN(CC1)c1nc(Cc2ccccc2)c2c(c1C#N)CC(OC2)(C)C
STK833516
Synonyms: 2-[(2E)-2-benzylidenehydrazinyl]-3,6,6-trimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Cn1c(N/N=C/c2ccccc2)nc2c(c1=O)c1CC(C)(C)OCc1s2
STK833517
Synonyms: 5-[2-(ethylsulfanyl)propyl]-2-{1-[(2-hydroxyphenyl)amino]butylidene}cyclohexane-1,3-dione
Smiles: CCC/C(=C/1\C(=O)CC(CC1=O)CC(SCC)C)/Nc1ccccc1O
STK833518
Synonyms: (3E)-7-chloro-3-[(dimethylamino)methylidene]-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
Smiles: CN(/C=c\1/nc(c2ccccc2)c2c(n(c1=O)C)ccc(c2)Cl)C
STK833520
Synonyms: ethyl2-[({4-chloro-2-[(phenylsulfonyl)amino]phenyl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)c2ccc(cc2NS(=O)(=O)c2ccccc2)Cl)sc2c1CCCC2
STK833522
Synonyms: ethylN-{(2E)-3-(2-fluorophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}leucinate
Smiles: CCOC(=O)C(NC(=O)/C(=C\c1ccccc1F)/NC(=O)c1ccccc1)CC(C)C
STK833523
Synonyms: 3-({(2Z)-2-[(phenylcarbonyl)amino]-3-[4-(propan-2-yloxy)phenyl]prop-2-enoyl}amino)propylacetate
Smiles: CC(Oc1ccc(cc1)/C=C(/C(=O)NCCCOC(=O)C)\NC(=O)c1ccccc1)C
STK833524
Synonyms: 1,4-bis(3-butoxyphenyl)piperazine-2,5-dione
Smiles: CCCCOc1cccc(c1)N1CC(=O)N(CC1=O)c1cccc(c1)OCCCC
STK833526
Synonyms: ethyl[(3-ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1nc2ccccc2c(=O)n1CC
STK833528
Synonyms: 6,8-dichloro-1',3',3'-trimethyl-1',3'-dihydrospiro[chromene-2,2'-indole]
Smiles: Clc1cc(Cl)c2c(c1)C=CC1(O2)N(C)c2c(C1(C)C)cccc2
STK833529
Synonyms: N-(4-methoxyphenyl)-2-(morpholin-4-yl)-5-nitrobenzamide
Smiles: COc1ccc(cc1)NC(=O)c1cc(ccc1N1CCOCC1)[N+](=O)[O-]
STK833530
Synonyms: N~1~-[(E)-(2,4-dichlorophenyl)methylidene]-4-phenyl-1H-imidazole-1,2-diamine
Smiles: Clc1ccc(c(c1)Cl)/C=N/n1cc(nc1N)c1ccccc1
STK833531
Synonyms: 1'-(2-chloroethyl)spiro[1,3-dioxolane-2,3'-indol]-2'(1'H)-one
Smiles: ClCCN1c2ccccc2C2(C1=O)OCCO2
STK833532
Synonyms: methyl(2Z)-2-(1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCN1c2ccccc2/C(=c\2/sc3=NC(=C(C(n3c2=O)c2ccc(cc2)OC)C(=O)OC)C)/C1=O
STK833533
Synonyms: 4-[(2E)-2-(4-chlorobenzylidene)hydrazinyl]-7-methyl-2-(methylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CSc1nc(N/N=C/c2ccc(cc2)Cl)c2c(n1)sc1c2CCN(C1)C
STK833535
Synonyms: 3-cyclohexyl-2-(prop-2-en-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: C=CCSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCCCC1)CCCC3
STK833536
Synonyms: 1-[8-methoxy-3-(4-nitrophenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl]ethanone
Smiles: COc1ccc2c(c1)C1=NN(C(C1CC2)c1ccc(cc1)[N+](=O)[O-])C(=O)C
STK833537
Synonyms: 6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-ylN-(tert-butoxycarbonyl)-beta-alaninate
Smiles: O=C(Oc1ccc2c(c1)oc(=O)c1c2CCCC1)CCNC(=O)OC(C)(C)C
STK833538
Synonyms: (3Z)-1-ethyl-3-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1,3-dihydro-2H-indol-2-one
Smiles: COCCN1C(=S)S/C(=C\2/c3ccccc3N(C2=O)CC)/C1=O
STK833539
Synonyms: 2-(ethylsulfanyl)-3-(2-methylprop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCSc1nc2sc3c(c2c(=O)n1CC(=C)C)CCCC3
STK833540
Synonyms: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-[(5Z)-5-(4-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide
Smiles: COc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCCC(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C
STK833541
Synonyms: 2,6-di-tert-butyl-4-[2-(pyridin-3-yl)-1H-benzimidazol-1-yl]phenol
Smiles: Oc1c(cc(cc1C(C)(C)C)n1c(nc2c1cccc2)c1cccnc1)C(C)(C)C
STK833543
Synonyms: 4,6-di-tert-butyl-2-(2-hydroxy-5-methoxyphenyl)-1,3-benzoxazol-7-ol
Smiles: COc1ccc(c(c1)c1nc2c(o1)c(O)c(cc2C(C)(C)C)C(C)(C)C)O
STK833544
Synonyms: N~6~-(2,5-dimethylphenyl)-N~4~,N~4~-dimethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine
Smiles: Cc1ccc(c(c1)Nc1cc(N(C)C)c2c(c1[N+](=O)[O-])non2)C
STK833545
Synonyms: (2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(2-nitrophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccccc1[N+](=O)[O-])/c1scc(n1)c1ccc2c(c1)OCO2
STK833547
Synonyms: 1-ethyl-6-nitro-4-oxo-1,4-dihydroquinoline-3-carbohydrazide
Smiles: NNC(=O)c1cn(CC)c2c(c1=O)cc(cc2)[N+](=O)[O-]
STK833548
Synonyms: 4-hydroxy-N-(2-methylphenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: Cc1ccccc1NC(=O)c1c(=O)[nH]c2c(c1O)cccc2
STK833549
Synonyms: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-8-[(3-hydroxypropyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCCNc1nc2c(n1CC(COc1ccccc1C)O)c(=O)[nH]c(=O)n2C
STK833550
Synonyms: 3-methyl-8-{(2E)-2-[(3E)-4-phenylbut-3-en-2-ylidene]hydrazinyl}-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(N/N=C(/C=C/c2ccccc2)\C)nc2c1c(=O)[nH]c(=O)n2C
STK833552
Synonyms: 3-methyl-7-[(4-methylphenyl)amino]-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: Cc1ccc(cc1)Nc1cc2oc3cc(C)ccc3[nH]c2c2c1c(=O)c1c(c2=O)cccc1
STK833553
Synonyms: 8-{(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl}-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COCCn1c(N/N=C(/c2ccc(cc2)O)\C)nc2c1c(=O)[nH]c(=O)n2C
STK833554
Synonyms: 5-[(methylamino)methylidene]-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: CN/C=C/1\C(=O)N(c2ccccc2)C(=S)N(C1=O)c1ccccc1
STK833555
Synonyms: 6-methoxy-5-nitro-N-{4-[(E)-phenyldiazenyl]phenyl}pyrimidin-4-amine
Smiles: COc1ncnc(c1[N+](=O)[O-])Nc1ccc(cc1)/N=N/c1ccccc1
STK833556
Synonyms: ethyl({3-cyano-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl}sulfanyl)acetate
Smiles: CCOC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1OC)c1cccs1
STK833557
Synonyms: 3-(2-chlorophenyl)-5,5-dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline
Smiles: Clc1ccccc1c1nnc2n1C(C)(C)Cc1c2cccc1
STK833558
Synonyms: 3-[(2Z)-3-chlorobut-2-en-1-yl]-1-methyl-9-phenyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: C/C(=C/Cn1c(=O)n(C)c2c(c1=O)n1CCCN(c1n2)c1ccccc1)/Cl
STK833560
Synonyms: 2,6-di-tert-butyl-4-{2-[4-(dimethylamino)phenyl]-5,6-dimethoxy-1H-benzimidazol-1-yl}phenol
Smiles: COc1cc2c(cc1OC)nc(n2c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)c1ccc(cc1)N(C)C
STK833562
Synonyms: 7-phenyl-6H,7H,8H-pyrano[3,2-c:5,6-c']dichromene-6,8-dione
Smiles: O=c1oc2ccccc2c2c1C(c1ccccc1)c1c(=O)oc3c(c1O2)cccc3
STK833563
Synonyms: (5Z)-5-(4-fluorobenzylidene)-1-methylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Fc1ccc(cc1)/C=C\1/C(=O)NC(=O)N(C1=O)C
STK833564
Synonyms: N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-ethyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: CCn1c(=O)c(C(=O)Nc2scc(n2)c2ccc(cc2)Cl)c(c2c1cccc2)O
STK833566
Synonyms: 2,6-di-tert-butyl-4-[5,6-dimethoxy-2-(pyridin-3-yl)-1H-benzimidazol-1-yl]phenol
Smiles: COc1cc2c(cc1OC)nc(n2c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)c1cccnc1
STK833567
Synonyms: 2-(2-chlorophenyl)-N-(3-fluorophenyl)quinazolin-4-amine
Smiles: Fc1cccc(c1)Nc1nc(nc2c1cccc2)c1ccccc1Cl
STK833571
Synonyms: 3-methyl-7-propyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCn1c(S)nc2c1c(=O)[nH]c(=O)n2C
STK833574
Synonyms: ethyl{[3-cyano-6-cyclopropyl-4-(2-fluorophenyl)pyridin-2-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc(cc(c1C#N)c1ccccc1F)C1CC1
STK833576
Synonyms: 3-(morpholin-4-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Smiles: O=C1c2ccccc2c2c3c1ccc(c3no2)N1CCOCC1
STK833577
Synonyms: N-(2-iodophenyl)-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Smiles: [O-][N+](=O)c1c(Nc2ccccc2I)cc(c2c1non2)N1CCOCC1
STK833578
Synonyms: 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-8-ethoxy-2H-chromen-2-one
Smiles: CCOc1cccc2c1oc(=O)c(c2)c1scc(n1)c1ccc(cc1)Cl
STK833580
Synonyms: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCOCC1)COc1ccccc1C
STK833582
Synonyms: 2-amino-1-(2-fluorophenyl)-4,4-bis(trifluoromethyl)-4,5,6,7,8,9-hexahydro-1H-cyclohepta[b]pyridine-3-carbonitrile
Smiles: N#CC1=C(N)N(c2ccccc2F)C2=C(C1(C(F)(F)F)C(F)(F)F)CCCCC2
STK833584
Synonyms: 7-(2-hydroxy-3-phenoxypropyl)-8-[(3-hydroxypropyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCCNc1nc2c(n1CC(COc1ccccc1)O)c(=O)[nH]c(=O)n2C
STK833585
Synonyms: 7-(2-methoxyethyl)-3-methyl-8-[(4-methylbenzyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: COCCn1c(SCc2ccc(cc2)C)nc2c1c(=O)[nH]c(=O)n2C
STK833586
Synonyms: ethyl(2E)-2-(4-methoxybenzylidene)-7-methyl-5-(3-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1cccc(c1)[N+](=O)[O-])c(=O)/c(=C\c1ccc(cc1)OC)/s2
STK833587
Synonyms: 8-[(2E)-but-2-en-1-ylsulfanyl]-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COCCn1c(SC/C=C/C)nc2c1c(=O)[nH]c(=O)n2C
STK833588
Synonyms: ethyl{[3-cyano-6-cyclopropyl-4-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc(cc(c1C#N)c1ccc(cc1)OC)C1CC1
STK833589
Synonyms: 1,2,4-trimethoxy-5-[(E)-2-nitroethenyl]benzene
Smiles: COc1cc(OC)c(cc1/C=C/[N+](=O)[O-])OC
STK833590
Synonyms: (4E)-4-(3,4-dimethoxybenzylidene)-5-(morpholin-4-yl)-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(cc1OC)/C=C\1/C(=O)N(N=C1N1CCOCC1)c1ccc(cc1)[N+](=O)[O-]
STK833591
Synonyms: N-[(1E)-1-(4-fluorophenyl)-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl]benzamide
Smiles: Fc1ccc(cc1)/C=C(\C(=O)NCCc1c[nH]c2c1cccc2)/NC(=O)c1ccccc1
STK833592
Synonyms: N'-[(1E)-6-methoxy-3,4-dihydronaphthalen-1(2H)-ylidene]-2-methylfuran-3-carbohydrazide
Smiles: COc1ccc2c(c1)CCC/C/2=N\NC(=O)c1ccoc1C
STK833593
Synonyms: 8-(ethylamino)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCn1c(NCC)nc2c1c(=O)[nH]c(=O)n2C
STK833594
Synonyms: N'-[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]-N,N'-diethylacetohydrazide
Smiles: CCN(N(C(=O)C)CC)c1nc(nc(n1)Cl)NC(C)(C)C
STK833596
Synonyms: (5Z)-5-(3,4-dihydroxybenzylidene)-1-(4-ethoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCOc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2ccc(c(c2)O)O)/C1=O
STK833597
Synonyms: [4-(4-methoxyphenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl](phenyl)methanone
Smiles: COc1ccc(cc1)C1(C)CC(C)(C)N(c2c1cccc2)C(=O)c1ccccc1
STK833599
Synonyms: 4-(1,3-dimethyl-2,3-dihydro-1H-benzimidazol-2-yl)phenol
Smiles: CN1C(c2ccc(cc2)O)N(c2c1cccc2)C
STK833600
Synonyms: N-(2-chlorophenyl)-4-nitro-7-(piperidin-1-yl)-2,1,3-benzoxadiazol-5-amine
Smiles: [O-][N+](=O)c1c(Nc2ccccc2Cl)cc(c2c1non2)N1CCCCC1
STK833604
Synonyms: 3-[(4-fluorophenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one
Smiles: COc1c(OC)ccc2c1C(=O)OC2Nc1ccc(cc1)F
STK833605
Synonyms: 7-(2-methoxyethyl)-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: COCCn1c(SCC(=O)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C
STK833607
Synonyms: 2-(3-butyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)-1-(4-methoxyphenyl)ethanol
Smiles: CCCCn1c(=N)n(c2c1cccc2)CC(c1ccc(cc1)OC)O
STK833609
Synonyms: 1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-3-(3,6-dichloro-9H-carbazol-9-yl)propan-2-ol
Smiles: OC(Cn1c2ccc(cc2c2c1ccc(c2)Cl)Cl)Cn1nc(c(c1C)Br)C
STK833610
Synonyms: N-(4-ethoxyphenyl)-4-hydroxy-2-oxo-1-pentyl-1,2-dihydroquinoline-3-carboxamide
Smiles: CCCCCn1c(=O)c(C(=O)Nc2ccc(cc2)OCC)c(c2c1cccc2)O
STK833611
Synonyms: 5-cyano-4-(furan-2-yl)-2-methyl-6-(methylsulfanyl)-N-phenylpyridine-3-carboxamide
Smiles: CSc1nc(C)c(c(c1C#N)c1ccco1)C(=O)Nc1ccccc1
STK833612
Synonyms: 4-[(5-methyl-3-nitroacridin-9-yl)amino]benzenesulfonamide
Smiles: Cc1cccc2c1nc1cc(ccc1c2Nc1ccc(cc1)S(=O)(=O)N)[N+](=O)[O-]
STK833613
Synonyms: ethyl(2E)-3-[(2-chlorophenyl)amino]-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxopropanoate
Smiles: CCOC(=O)/C(=C\1/NC(C)(C)Cc2c1cccc2)/C(=O)Nc1ccccc1Cl
STK833614
Synonyms: 1'H-spiro[cyclohexane-1,2'-naphthalen]-4'(3'H)-one
Smiles: O=C1CC2(CCCCC2)Cc2c1cccc2
STK833615
Synonyms: 8-[(4-chlorobenzyl)sulfanyl]-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)CSc1nc2c(n1CCCc1ccccc1)c(=O)[nH]c(=O)n2C
STK833618
Synonyms: N-(2-aminophenyl)-4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: Nc1ccccc1NC(=O)c1c(O)c2ccccc2n(c1=O)C
STK833619
Synonyms: 3-{[(E)-(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]amino}-2-(furan-2-yl)quinazolin-4(3H)-one
Smiles: Oc1c(cc(cc1C(C)(C)C)/C=N/n1c(nc2c(c1=O)cccc2)c1ccco1)C(C)(C)C
STK833620
Synonyms: N'-[(E)-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methylidene]-2-hydroxybenzohydrazide
Smiles: O=C(c1ccccc1O)N/N=C/c1c(C)n(n(c1=O)c1ccccc1)C
STK833623
Synonyms: 8-bromo-7-[2-(4-bromophenyl)-2-oxoethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Brc1ccc(cc1)C(=O)Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C
STK833626
Synonyms: 8-(hexylsulfanyl)-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCSc1nc2c(n1CC(COc1ccccc1)O)c(=O)[nH]c(=O)n2C
STK833627
Synonyms: 5-bromo-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide
Smiles: Brc1ccc(o1)C(=O)Nc1cc(ccc1C)c1nc2c(o1)cccn2
STK833632
Synonyms: 1-(3,4-dichlorophenyl)-2-[2-imino-3-(4-methylbenzyl)-2,3-dihydro-1H-benzimidazol-1-yl]ethanol
Smiles: Cc1ccc(cc1)Cn1c2ccccc2n(c1=N)CC(c1ccc(c(c1)Cl)Cl)O
STK833633
Synonyms: ethyl4-[(N-{[4-(2-methylpropoxy)phenyl]carbonyl}-beta-alanyl)amino]butanoate
Smiles: CCOC(=O)CCCNC(=O)CCNC(=O)c1ccc(cc1)OCC(C)C
STK833634
Synonyms: (4E)-4-[4-(dimethylamino)benzylidene]-5-(morpholin-4-yl)-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: CN(c1ccc(cc1)/C=C\1/C(=O)N(N=C1N1CCOCC1)c1ccc(cc1)[N+](=O)[O-])C
STK833639
Synonyms: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-8-[(2-hydroxypropyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(SCC(O)C)nc2c1c(=O)[nH]c(=O)n2C)COc1ccccc1C
STK833641
Synonyms: 6-(benzylsulfanyl)-5-cyano-4-(4-hydroxyphenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCc2ccccc2)NC(=C(C1c1ccc(cc1)O)C(=O)Nc1ccccc1)C
STK833644
Synonyms: 1-ethyl-6-fluoro-7-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-4-oxo-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1,4-dihydroquinoline-3-carboxamide
Smiles: CCn1cc(C(=O)Nc2nnc(s2)C(C)C)c(=O)c2c1cc(N1CCN(CC1)C(=O)c1ccco1)c(c2)F
STK833645
Synonyms: 2-(3,4-dimethoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
Smiles: COc1ccc(cc1OC)C1CC(=Nc2c(S1)cccc2)c1ccccc1
STK833646
Synonyms: methyl3-acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Smiles: COC(=O)C1=C(C)NC(=O)N(C1c1ccc2c(c1)OCO2)C(=O)C
STK833647
Synonyms: (4E)-N-hydroxy-6,6-dimethyl-1,2-diphenyl-1,5,6,7-tetrahydro-4H-indol-4-imine
Smiles: O/N=C/1\CC(C)(C)Cc2c1cc(n2c1ccccc1)c1ccccc1
STK833648
Synonyms: 1-butyl-N-(4-ethoxyphenyl)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: CCCCn1c(=O)c(C(=O)Nc2ccc(cc2)OCC)c(c2c1cccc2)O
STK833649
Synonyms: 2-amino-6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-ethylpyridine-3,5-dicarbonitrile
Smiles: N#Cc1c(SCC(=O)c2ccc(cc2)Br)nc(c(c1CC)C#N)N
STK833650
Synonyms: 7-(cyclohexylamino)-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: O=c1c2c3[nH]c4ccccc4oc3cc(c2c(=O)c2c1cccc2)NC1CCCCC1
STK833651
Synonyms: 2-(7-benzyl-8-bromo-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide
Smiles: NC(=O)Cn1c(=O)n(C)c2c(c1=O)n(Cc1ccccc1)c(n2)Br
STK833652
Synonyms: 5-[(2-methylpropoxy)methyl]-3-{(2E)-2-[2-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propyl}dihydrofuran-2(3H)-one(non-preferredname)
Smiles: CC(COCC1CC(C(=O)O1)C/C(=N/Nc1scc(n1)c1ccccc1)/C)C
STK833653
Synonyms: N-cyclohexyl-2-[(1E)-N-(3,4-dimethylphenyl)-2,2,2-trifluoroethanimidoyl]hydrazinecarboxamide
Smiles: O=C(NC1CCCCC1)NN/C(=N/c1ccc(c(c1)C)C)/C(F)(F)F
STK833654
Synonyms: N,N'-bis{(E)-[4-(dimethylamino)phenyl]methylidene}hexane-1,6-diamine
Smiles: CN(c1ccc(cc1)/C=N/CCCCCC/N=C/c1ccc(cc1)N(C)C)C
STK833655
Synonyms: 2-chloro-2-[3-oxo-1-phenyl-3-(4-propylphenyl)propyl]-1H-indene-1,3(2H)-dione
Smiles: CCCc1ccc(cc1)C(=O)CC(C1(Cl)C(=O)c2c(C1=O)cccc2)c1ccccc1
STK833656
Synonyms: 3-benzyl-7-{[(2Z)-2-(4-chlorophenyl)-2-(hydroxyimino)ethyl]oxy}-4,8-dimethyl-2H-chromen-2-one
Smiles: O/N=C(/c1ccc(cc1)Cl)\COc1ccc2c(c1C)oc(=O)c(c2C)Cc1ccccc1
STK833658
Synonyms: 2-[(4-chlorobenzyl)sulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile
Smiles: N#Cc1c(SCc2ccc(cc2)Cl)nc(c(c1C)C)C
STK833660
Synonyms: N-{2-[(2,4-dimethoxyphenyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}-4-methylbenzamide
Smiles: COc1cc(OC)ccc1NC(C(F)(F)F)(C(F)(F)F)NC(=O)c1ccc(cc1)C
STK833661
Synonyms: 8-(butan-2-ylsulfanyl)-3-methyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCC(Sc1nc2c(n1CCC(C)C)c(=O)[nH]c(=O)n2C)C
STK833664
Synonyms: 7-[2-hydroxy-3-(propan-2-yloxy)propyl]-3-methyl-8-[(4-methylbenzyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(NCc2ccc(cc2)C)nc2c1c(=O)[nH]c(=O)n2C)COC(C)C
STK833668
Synonyms: 1-(3-chlorophenyl)-1-(2-hydroxyethyl)-3-phenylthiourea
Smiles: OCCN(c1cccc(c1)Cl)C(=S)Nc1ccccc1
STK833669
Synonyms: pentyl6-nitro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate
Smiles: CCCCCOC(=O)n1c(=O)oc2c1ccc(c2)[N+](=O)[O-]
STK833671
Synonyms: propyl3-(2-thioxo-1,3-benzoxazol-3(2H)-yl)propanoate
Smiles: CCCOC(=O)CCn1c(=S)oc2c1cccc2
STK833672
Synonyms: 8-{(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl}-3-methyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1ccc(cc1)/C(=N/Nc1nc2c(n1CCC(C)C)c(=O)[nH]c(=O)n2C)/C
STK833674
Synonyms: 4-(morpholin-4-yl)-4-oxobutylbenzoate
Smiles: O=C(N1CCOCC1)CCCOC(=O)c1ccccc1
STK833676
Synonyms: ethyl3-amino-1-(pyridin-3-yl)-1H-benzo[f]chromene-2-carboxylate
Smiles: CCOC(=O)C1=C(N)Oc2c(C1c1cccnc1)c1ccccc1cc2
STK833679
Synonyms: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(Z)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]acetamide
Smiles: COc1cc(CCN(C(=O)C)/C=C/2\Sc3c(C2=O)cccc3)ccc1OC
STK833680
Synonyms: 8-[(2E)-2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COCCn1c(N/N=C\2/C(=O)Nc3c2cc(Br)cc3)nc2c1c(=O)[nH]c(=O)n2C
STK833681
Synonyms: 3-methyl-7-(3-methylbutyl)-8-[(3-methylbutyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CCSc1nc2c(n1CCC(C)C)c(=O)[nH]c(=O)n2C)C
STK833682
Synonyms: 7-[2-hydroxy-3-(propan-2-yloxy)propyl]-3-methyl-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(N/N=C(/c2ccccc2)\C)nc2c1c(=O)[nH]c(=O)n2C)COC(C)C
STK833684
Synonyms: N-{(1E)-3-[(3-fluorophenyl)amino]-1-[4-(methylsulfanyl)phenyl]-3-oxoprop-1-en-2-yl}-4-methylbenzamide
Smiles: CSc1ccc(cc1)/C=C(\C(=O)Nc1cccc(c1)F)/NC(=O)c1ccc(cc1)C
STK833685
Synonyms: 8-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(N/N=C/c2ccccc2O)nc2c1c(=O)[nH]c(=O)n2C)COc1ccccc1C
STK833688
Synonyms: 8-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCn1c(SC/C=C(\Cl)/C)nc2c1c(=O)[nH]c(=O)n2C
STK833689
Synonyms: ethyl{[3-methyl-7-(3-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc2c(n1Cc1cccc(c1)C)c(=O)[nH]c(=O)n2C
STK833690
Synonyms: 1-(2,3-dihydro-1,4-benzodioxin-2-yl)-N-[(E)-(4-nitrophenyl)methylidene]methanamine
Smiles: [O-][N+](=O)c1ccc(cc1)/C=N/CC1COc2c(O1)cccc2
STK833692
Synonyms: N'-(7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)formichydrazide
Smiles: O=CNNc1nc2c(n1Cc1ccccc1)c(=O)[nH]c(=O)n2C
STK833695
Synonyms: 2-chloro-5-iodo-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
Smiles: Ic1ccc(c(c1)C(=O)Nc1ccc(cc1)c1nc2c(o1)cccn2)Cl
STK833697
Synonyms: N,N'-bis(4-methoxyphenyl)-5-nitropyrimidine-4,6-diamine
Smiles: COc1ccc(cc1)Nc1ncnc(c1[N+](=O)[O-])Nc1ccc(cc1)OC
STK833698
Synonyms: 2-hydroxy-N'-[(1Z)-1-(2-hydroxyphenyl)ethylidene]-2,2-bis(4-methoxyphenyl)acetohydrazide
Smiles: COc1ccc(cc1)C(c1ccc(cc1)OC)(C(=O)N/N=C(\c1ccccc1O)/C)O
STK833700
Synonyms: ethyl[(5-chloro-1,3-thiazol-2-yl)amino](oxo)acetate
Smiles: CCOC(=O)C(=O)Nc1ncc(s1)Cl
STK833701
Synonyms: 7-benzyl-8-[(2-chloroethyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: ClCCSc1nc2c(n1Cc1ccccc1)c(=O)[nH]c(=O)n2C
STK833704
Synonyms: N-(2,4-dimethylphenyl)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: Cc1ccc(c(c1)C)NC(=O)c1c(=O)[nH]c2c(c1O)cccc2
STK833705
Synonyms: ethyl6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Smiles: CCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C#N)SCC(=O)N
STK833706
Synonyms: 2-{(2E)-1-acetyl-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl}-N-phenylquinoline-4-carboxamide
Smiles: CC(=O)N(c1nc2ccccc2c(c1)C(=O)Nc1ccccc1)/N=C/c1ccc(o1)[N+](=O)[O-]
STK833709
Synonyms: N-[(1E)-1-(1,3-benzodioxol-5-yl)-3-(morpholin-4-yl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
Smiles: O=C(/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1cccs1)N1CCOCC1
STK833710
Synonyms: 2-(3,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)-2-nitroethyl]-1H-indene-1,3(2H)-dione
Smiles: COc1ccc(cc1)C(C1(c2ccc(c(c2)OC)OC)C(=O)c2c(C1=O)cccc2)C[N+](=O)[O-]
STK833712
Synonyms: N-(3-chloro-4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Smiles: Clc1cc(ccc1C)Nc1ccc2c(c1[N+](=O)[O-])non2
STK833715
Synonyms: (4-hydroxy-5,5-dimethyl-3-oxido-4-phenyl-4,5-dihydro-1H-imidazol-2-yl)(phenyl)methanone
Smiles: O=C(C1=[N+]([O-])C(C(N1)(C)C)(O)c1ccccc1)c1ccccc1
STK833718
Synonyms: 4-hydroxy-2-oxo-1-pentyl-N-(1,3-thiazol-2-yl)-1,2-dihydroquinoline-3-carboxamide
Smiles: CCCCCn1c(=O)c(C(=O)Nc2nccs2)c(c2c1cccc2)O
STK833719
Synonyms: propyl[(6-amino-3,5-dicyano-4-ethylpyridin-2-yl)sulfanyl]acetate
Smiles: CCCOC(=O)CSc1nc(N)c(c(c1C#N)CC)C#N
STK833720
Synonyms: 8-[(4-chlorobenzyl)sulfanyl]-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COCCn1c(SCc2ccc(cc2)Cl)nc2c1c(=O)[nH]c(=O)n2C
STK833721
Synonyms: 4-hydroxy-2-oxo-N-(prop-2-en-1-yl)-1,2-dihydroquinoline-3-carboxamide
Smiles: C=CCNC(=O)c1c(=O)[nH]c2c(c1O)cccc2
STK833722
Synonyms: 1-butyl-N-(2-fluorophenyl)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: CCCCn1c(=O)c(C(=O)Nc2ccccc2F)c(c2c1cccc2)O
STK833723
Synonyms: N-(4-chlorophenyl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazole-3-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)c1ccc2c3c1noc3c1c(C2=O)cccc1
STK833724
Synonyms: (5E)-1-benzyl-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)/C(=C\C=C\c2ccco2)/C(=O)N1Cc1ccccc1
STK833726
Synonyms: 8-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C/C(=C/CSc1nc2c(n1Cc1cccc(c1)C)c(=O)[nH]c(=O)n2C)/Cl
STK833727
Synonyms: 7-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-8-{(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: C/C(=C/Cn1c(N/N=C(/c2ccc(cc2)[N+](=O)[O-])\C)nc2c1c(=O)[nH]c(=O)n2C)/Cl
STK833728
Synonyms: methyl(2E)-5-(4-fluorophenyl)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)F)c(=O)/c(=C\c1cccc(c1)[N+](=O)[O-])/s2
STK833730
Synonyms: N-(2-chlorophenyl)-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Smiles: [O-][N+](=O)c1c(Nc2ccccc2Cl)cc(c2c1non2)N1CCOCC1
STK833731
Synonyms: (5E)-5-(1H-pyrrol-2-ylmethylidene)-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)/C(=C\c2ccc[nH]2)/C(=O)N1c1cccc(c1)C(F)(F)F
STK833732
Synonyms: 1,5-dimethyl-4-{[7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: [O-][N+](=O)c1c(Nc2c(C)n(n(c2=O)c2ccccc2)C)cc(c2c1non2)N1CCOCC1
STK833733
Synonyms: [4-(3,5-dimethyl-1H-pyrazol-1-yl)-2,3,5,6-tetrafluorophenyl]methanol
Smiles: OCc1c(F)c(F)c(c(c1F)F)n1nc(cc1C)C
STK833736
Synonyms: 7-[(2E)-but-2-en-1-yl]-3-methyl-8-(methylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C/C=C/Cn1c(SC)nc2c1c(=O)[nH]c(=O)n2C
STK833737
Synonyms: 4-(4-methoxyphenyl)-2-[(2-methylbenzyl)sulfanyl]-6-phenylpyridine-3-carbonitrile
Smiles: COc1ccc(cc1)c1cc(nc(c1C#N)SCc1ccccc1C)c1ccccc1
STK833740
Synonyms: 1-(3,6-dichloro-9H-carbazol-9-yl)propan-2-ol
Smiles: CC(Cn1c2ccc(cc2c2c1ccc(c2)Cl)Cl)O
STK833742
Synonyms: 7-benzyl-8-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: C/C(=C/CSc1nc2c(n1Cc1ccccc1)c(=O)[nH]c(=O)n2C)/Cl
STK833743
Synonyms: ethyl(2E)-2-(2-chlorobenzylidene)-5-(2-fluorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1F)c(=O)/c(=C\c1ccccc1Cl)/s2
STK833744
Synonyms: 3-methyl-7-(3-phenylpropyl)-8-(propan-2-ylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(Sc1nc2c(n1CCCc1ccccc1)c(=O)[nH]c(=O)n2C)C
STK833745
Synonyms: ethyl6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-1,4-dihydro-4,4'-bipyridine-3-carboxylate
Smiles: CCOC(=O)C1=C(C)NC(=C(C1c1ccncc1)C#N)SCC(=O)N
STK833746
Synonyms: (2E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-{[3-(trifluoromethyl)phenyl]amino}prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)C(F)(F)F)/c1scc(n1)c1ccc(cc1)F
STK833748
Synonyms: butyl4-({oxo[(pyridin-3-ylmethyl)amino]acetyl}amino)benzoate
Smiles: CCCCOC(=O)c1ccc(cc1)NC(=O)C(=O)NCc1cccnc1
STK833749
Synonyms: 2-(4-bromophenyl)-9-(prop-2-en-1-yl)-9H-imidazo[1,2-a]benzimidazole
Smiles: C=CCn1c2nc(cn2c2c1cccc2)c1ccc(cc1)Br
STK833750
Synonyms: 4-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-(propan-2-yloxy)butan-2-ol
Smiles: OC(CCc1nnc(n1c1ccccc1)S)COC(C)C
STK833753
Synonyms: ethyl(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-5-(3-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1cccc(c1)[N+](=O)[O-])c(=O)/c(=C\c1ccc3c(c1)OCO3)/s2
STK833754
Synonyms: 1-(4-amino-3,5-dichlorophenyl)-1H-pyrrole-2,5-dione
Smiles: O=C1C=CC(=O)N1c1cc(Cl)c(c(c1)Cl)N
STK833757
Synonyms: ethyl(2E)-2-[4-(acetyloxy)-3-ethoxybenzylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOc1cc(ccc1OC(=O)C)/C=c\1/sc2=NC(=C(C(n2c1=O)c1ccccc1)C(=O)OCC)C
STK833759
Synonyms: N-(3,4-difluorophenyl)-4-hydroxy-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydroquinoline-3-carboxamide
Smiles: C=CCn1c(=O)c(C(=O)Nc2ccc(c(c2)F)F)c(c2c1cccc2)O
STK833762
Synonyms: 2-amino-4-(2-bromophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccccc1Br)c(=O)oc(c2)C
STK833763
Synonyms: N-benzyl-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
Smiles: [O-][N+](=O)c1c(ccc2c1C(=O)c1ccccc1C2=O)C(=O)NCc1ccccc1
STK833764
Synonyms: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(diethylamino)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN(c1nc2c(n1CC(COc1ccc(cc1)Cl)O)c(=O)[nH]c(=O)n2C)CC
STK833768
Synonyms: 4-({(E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)benzenesulfonamide
Smiles: N#C/C(=C\Nc1ccc(cc1)S(=O)(=O)N)/c1scc(n1)c1ccc(cc1)Br
STK833769
Synonyms: N-(2,5-dimethylphenyl)-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Smiles: Cc1ccc(c(c1)Nc1cc(N2CCOCC2)c2c(c1[N+](=O)[O-])non2)C
STK833771
Synonyms: cyclohexane-1,1-diyldibenzene-4,1-diyldifuran-2-carboxylate
Smiles: O=C(c1ccco1)Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)OC(=O)c1ccco1
STK833776
Synonyms: (2E)-2-[4-(5-methyl-2-oxotetrahydrofuran-3-yl)butan-2-ylidene]hydrazinecarboxamide
Smiles: C/C(=N\NC(=O)N)/CCC1CC(OC1=O)C
STK833779
Synonyms: 6-(benzylsulfanyl)-5-cyano-4-(furan-2-yl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCc2ccccc2)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1)C
STK833780
Synonyms: 6-amino-3-methyl-1-(4-methylphenyl)-4-(2-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccccc1[N+](=O)[O-])c(C)nn2c1ccc(cc1)C
STK833782
Synonyms: 4,6-di-tert-butyl-2-(3,5-di-tert-butyl-4-hydroxyphenyl)-1,3-benzoxazol-7-ol
Smiles: Oc1c(cc(cc1C(C)(C)C)c1oc2c(n1)c(cc(c2O)C(C)(C)C)C(C)(C)C)C(C)(C)C
STK833785
Synonyms: 4-hydroxy-N-(2-methyl-4-oxoquinazolin-3(4H)-yl)-2-oxo-1-propyl-1,2-dihydroquinoline-3-carboxamide
Smiles: CCCn1c(=O)c(C(=O)Nn2c(C)nc3c(c2=O)cccc3)c(c2c1cccc2)O
STK833786
Synonyms: (2Z)-N-hydroxy-4-[3-(5-methylfuran-2-yl)-5-nitro-1-benzofuran-2-yl]butan-2-imine
Smiles: O/N=C(\CCc1oc2c(c1c1ccc(o1)C)cc(cc2)[N+](=O)[O-])/C
STK833787
Synonyms: 3-methyl-7-(3-methylbutyl)-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CCn1c(N/N=C(/c2ccccc2)\C)nc2c1c(=O)[nH]c(=O)n2C)C
STK833789
Synonyms: 8-{(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl}-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COCCn1c(N/N=C(\c2ccccc2O)/C)nc2c1c(=O)[nH]c(=O)n2C
STK833790
Synonyms: 8-[(2-hydroxypropyl)sulfanyl]-3-methyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CCn1c(SCC(O)C)nc2c1c(=O)[nH]c(=O)n2C)C
STK833791
Synonyms: 2-(4-bromophenyl)-1H-naphtho[2,3-g]indazole-3,6,11(2H)-trione
Smiles: Brc1ccc(cc1)n1[nH]c2c(c1=O)ccc1c2c(=O)c2c(c1=O)cccc2
STK833792
Synonyms: N-cyclooctyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: O=C(c1c(=O)[nH]c2c(c1O)cccc2)NC1CCCCCCC1
STK833795
Synonyms: 2-(pentafluorophenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol
Smiles: ON1C2CCCCC2N(C1c1c(F)c(F)c(c(c1F)F)F)O
STK833796
Synonyms: 4-{[(1Z)-3-(4-ethoxyphenyl)-3-oxoprop-1-en-1-yl]amino}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
Smiles: CCOc1ccc(cc1)C(=O)/C=C\Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)CC
STK833798
Synonyms: 3-[(2E)-2-(4-bromobenzylidene)hydrazinyl]-5,6-diphenyl-1,2,4-triazine
Smiles: Brc1ccc(cc1)/C=N/Nc1nnc(c(n1)c1ccccc1)c1ccccc1
STK833799
Synonyms: N-[(1E)-1-(4-ethoxyphenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide
Smiles: CCOc1ccc(cc1)/C=C(\C(=O)NN)/NC(=O)c1ccccc1
STK833800
Synonyms: 1-methyl-3-(2-methylpropyl)-6,7-dihydro[1,3]thiazolo[2,3-f]purine-2,4(1H,3H)-dione
Smiles: CC(Cn1c(=O)n(C)c2c(c1=O)n1CCSc1n2)C
STK833802
Synonyms: 2-(4-bromophenyl)-4-(2-methoxyethoxy)quinazoline
Smiles: COCCOc1nc(nc2c1cccc2)c1ccc(cc1)Br
STK833803
Synonyms: 5-({[(1E)-2-oxonaphthalen-1(2H)-ylidene]amino}oxy)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Smiles: O=C1C=Cc2c(/C/1=N\Oc1ccc3c4c1C(=O)c1ccccc1c4on3)cccc2
STK833804
Synonyms: dimethyl{[(4-bromophenyl)amino](phenyl)methyl}phosphonate
Smiles: COP(=O)(C(c1ccccc1)Nc1ccc(cc1)Br)OC
STK833806
Synonyms: 2-(2-chlorophenyl)-N-(3,4-dimethylphenyl)quinazolin-4-amine
Smiles: Clc1ccccc1c1nc(Nc2ccc(c(c2)C)C)c2c(n1)cccc2
STK833807
Synonyms: N'-[(4-chlorophenyl)sulfonyl]-N-(propan-2-yl)benzenecarboximidamide
Smiles: CC(N/C(=N\S(=O)(=O)c1ccc(cc1)Cl)/c1ccccc1)C
STK833808
Synonyms: N-[4-({(E)-2-cyano-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}amino)phenyl]acetamide
Smiles: N#C/C(=C\Nc1ccc(cc1)NC(=O)C)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]
STK833809
Synonyms: 6,7-dimethoxy-3-(4-methoxyphenyl)-1-(naphthalen-1-ylmethyl)isoquinoline
Smiles: COc1cc2cc(nc(c2cc1OC)Cc1cccc2c1cccc2)c1ccc(cc1)OC
STK833811
Synonyms: 4-(4-methoxyphenyl)-6-phenyl-2-(propylsulfanyl)pyridine-3-carbonitrile
Smiles: CCCSc1nc(cc(c1C#N)c1ccc(cc1)OC)c1ccccc1
STK833812
Synonyms: 5-(aziridin-1-yl)-3-methyl-6H-anthra[1,9-cd][1,2]oxazol-6-one
Smiles: O=C1c2ccccc2c2c3c1c(cc(c3no2)C)N1CC1
STK833813
Synonyms: 7-(3-bromobenzyl)-8-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1ccc(cc1)/C=N/Nc1nc2c(n1Cc1cccc(c1)Br)c(=O)[nH]c(=O)n2C
STK833815
Synonyms: (4E)-4-{4-[(4-bromobenzyl)oxy]benzylidene}-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one
Smiles: Cc1ccc(cc1)C1=N/C(=C/c2ccc(cc2)OCc2ccc(cc2)Br)/C(=O)O1
STK833817
Synonyms: N,N-diethyl[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
Smiles: CCN(c1nc2ccccc2n2c1nnc2)CC
STK833818
Synonyms: 6-(4-chlorophenyl)-3,3,5,5-tetramethyldihydro-2H-pyran-2,4(3H)-dione
Smiles: Clc1ccc(cc1)C1OC(=O)C(C(=O)C1(C)C)(C)C
STK833819
Synonyms: 2-ethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexane]-4(6H)-thione
Smiles: CCc1[nH]c(=S)c2c(n1)c1ccccc1CC12CCCCC1
STK833820
Synonyms: 1-(3,4-dichlorophenyl)-2-(2-imino-3-propyl-2,3-dihydro-1H-benzimidazol-1-yl)ethanone
Smiles: CCCn1c(=N)n(c2c1cccc2)CC(=O)c1ccc(c(c1)Cl)Cl
STK833822
Synonyms: (5Z)-5-(4-hydroxy-3-methoxybenzylidene)-1-methylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1cc(ccc1O)/C=C\1/C(=O)NC(=O)N(C1=O)C
STK833823
Synonyms: 6-nitro-3-{4-[4-(phenylsulfanyl)phenyl]-1,3-thiazol-2-yl}-2H-chromen-2-one
Smiles: O=c1oc2ccc(cc2cc1c1scc(n1)c1ccc(cc1)Sc1ccccc1)[N+](=O)[O-]
STK833825
Synonyms: ethyl(2E)-7-methyl-2-(4-nitrobenzylidene)-3-oxo-5-[(E)-2-phenylethenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1/C=C/c1ccccc1)c(=O)/c(=C\c1ccc(cc1)[N+](=O)[O-])/s2
STK833826
Synonyms: 3-methyl-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(N/N=C(/c2ccccc2)\C)nc2c1c(=O)[nH]c(=O)n2C
STK833827
Synonyms: 2-chloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide
Smiles: Ic1ccc(c(c1)C(=O)Nc1ccc2c(c1)nc(o2)c1ccccc1F)Cl
STK833829
Synonyms: 2,2'-[(5-phenylfuran-2-yl)methanediyl]bis(5-methylfuran)
Smiles: Cc1ccc(o1)C(c1ccc(o1)c1ccccc1)c1ccc(o1)C
STK833830
Synonyms: 8-[(4-chlorobenzyl)sulfanyl]-3-methyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)CSc1nc2c(n1Cc1cccc(c1)C)c(=O)[nH]c(=O)n2C
STK833832
Synonyms: (5Z)-1-tert-butyl-5-(3,4-dihydroxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)N(C(=O)/C/1=C\c1ccc(c(c1)O)O)C(C)(C)C
STK833833
Synonyms: 1-ethyl-6-fluoro-7-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
Smiles: CCn1cc(C(=O)Nc2ncc(s2)C)c(=O)c2c1cc(N1CCN(CC1)C(=O)c1ccco1)c(c2)F
STK833834
Synonyms: N-[(1E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-(prop-2-en-1-ylamino)prop-1-en-2-yl]benzamide
Smiles: C=CCNC(=O)/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1
STK833837
Synonyms: 8-[(2-chlorobenzyl)sulfanyl]-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccc(cc1)Cn1c(SCc2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C
STK833838
Synonyms: 7-[(2E)-but-2-en-1-yl]-8-{(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: C/C=C/Cn1c(N/N=C(/c2ccc(cc2)O)\C)nc2c1c(=O)[nH]c(=O)n2C
STK833842
Synonyms: (2E)-3-(4-nitrophenyl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(cc1)[N+](=O)[O-])/c1scc(n1)c1ccc(cc1)[N+](=O)[O-]
STK833843
Synonyms: 8-[(2E)-2-(3,4-dimethoxybenzylidene)hydrazinyl]-7-[2-hydroxy-3-(propan-2-yloxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1cc(/C=N/Nc2nc3c(n2CC(COC(C)C)O)c(=O)[nH]c(=O)n3C)ccc1OC
STK833844
Synonyms: 5-(aziridin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Smiles: O=C1c2ccccc2c2c3c1c(ccc3no2)N1CC1
STK833846
Synonyms: 1-ethyl-4-hydroxy-N-(4-methylpyridin-2-yl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: CCn1c(=O)c(C(=O)Nc2nccc(c2)C)c(c2c1cccc2)O
STK833848
Synonyms: 3-(morpholin-4-yl)-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)propanamide
Smiles: O=C(NC12CC3CC(C2)CC(C1)C3)CCN1CCOCC1
STK833852
Synonyms: 3-methyl-8-[(2-phenylethyl)sulfanyl]-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=c1[nH]c(=O)c2c(n1C)nc(n2CCCc1ccccc1)SCCc1ccccc1
STK833858
Synonyms: 7-[(2E)-3-chlorobut-2-en-1-yl]-3-methyl-8-(prop-2-en-1-ylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCSc1nc2c(n1C/C=C(/Cl)\C)c(=O)[nH]c(=O)n2C
STK833859
Synonyms: N-[3-(morpholin-4-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]-N-phenylacetamide
Smiles: CC(=O)N(C1=C(N2CCOCC2)C(=O)c2c(C1=O)cccc2)c1ccccc1
STK833860
Synonyms: (2Z)-N-cyclohexyl-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)ethanamide
Smiles: O=C(/C=C/1\NC(C)(C)Cc2c1cccc2)NC1CCCCC1
STK833864
Synonyms: N-(2,4-dimethylphenyl)-7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Smiles: CC1CCCN(C1)c1cc(Nc2ccc(cc2C)C)c(c2c1non2)[N+](=O)[O-]
STK833868
Synonyms: (5E)-1-(2-chlorophenyl)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)N(C(=O)/C/1=C/C=C/c1ccco1)c1ccccc1Cl
STK833869
Synonyms: 2-(3-nitrophenyl)-4,5-diphenyl-1H-imidazole
Smiles: [O-][N+](=O)c1cccc(c1)c1nc(c([nH]1)c1ccccc1)c1ccccc1
STK833871
Synonyms: 2,6-di-tert-butyl-4-[6-nitro-2-(pyridin-3-yl)-1H-benzimidazol-1-yl]phenol
Smiles: [O-][N+](=O)c1ccc2c(c1)n(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)c(n2)c1cccnc1
STK833872
Synonyms: 8-{(2E)-2-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]hydrazinyl}-3-methyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(=C)Cn1c(N/N=C/C(=C/c2ccccc2)/Br)nc2c1c(=O)[nH]c(=O)n2C
STK833873
Synonyms: 4-nitro-N-(2-phenylethyl)-2,1,3-benzoxadiazol-5-amine
Smiles: [O-][N+](=O)c1c(NCCc2ccccc2)ccc2c1non2
STK833874
Synonyms: 2-[4-(7-nitro-2,1,3-benzoxadiazol-4-yl)piperazin-1-yl]ethanol
Smiles: OCCN1CCN(CC1)c1ccc(c2c1non2)[N+](=O)[O-]
STK833875
Synonyms: 1-ethyl-6-fluoro-7-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-4-oxo-N-(1,3-thiazol-2-yl)-1,4-dihydroquinoline-3-carboxamide
Smiles: CCn1cc(C(=O)Nc2nccs2)c(=O)c2c1cc(N1CCN(CC1)C(=O)c1ccco1)c(c2)F
STK833877
Synonyms: 1-benzyl-2,2,4,6,7-pentamethyl-1,2-dihydroquinoline
Smiles: CC1=CC(C)(C)N(c2c1cc(C)c(c2)C)Cc1ccccc1
STK833878
Synonyms: 1,1'-[hexane-1,6-diylbis(oxybenzene-4,1-diyl)]diethanone
Smiles: CC(=O)c1ccc(cc1)OCCCCCCOc1ccc(cc1)C(=O)C
STK833880
Synonyms: 7-(azepan-1-yl)-N-(2,5-dimethylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Smiles: Cc1ccc(c(c1)Nc1cc(N2CCCCCC2)c2c(c1[N+](=O)[O-])non2)C
STK833882
Synonyms: 1,5-dimethyl-2-phenyl-4-{[(E)-(2,4,5-trimethoxyphenyl)methylidene]amino}-1,2-dihydro-3H-pyrazol-3-one
Smiles: COc1cc(OC)c(cc1/C=N/c1c(C)n(n(c1=O)c1ccccc1)C)OC
STK833884
Synonyms: 3-methyl-8-[(2-methylpropyl)sulfanyl]-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(SCC(C)C)nc2c1c(=O)[nH]c(=O)n2C
STK833887
Synonyms: 1-methyl-3-(3-methylbutyl)-6,7-dihydro[1,3]thiazolo[2,3-f]purine-2,4(1H,3H)-dione
Smiles: CC(CCn1c(=O)n(C)c2c(c1=O)n1CCSc1n2)C
STK833888
Synonyms: 5-[(2-methylphenyl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one
Smiles: Cc1ccccc1Nc1ccc2c3c1C(=O)c1ccccc1c3on2
STK833889
Synonyms: 2-[8-bromo-3-methyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetamide
Smiles: CC(CCn1c(Br)nc2c1c(=O)n(c(=O)n2C)CC(=O)N)C
STK833890
Synonyms: 1-benzyl-2-methyl-4-nitro-1H-imidazole
Smiles: [O-][N+](=O)c1cn(c(n1)C)Cc1ccccc1
STK833893
Synonyms: 7-[2-hydroxy-3-(propan-2-yloxy)propyl]-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCOCC1)COC(C)C
STK833894
Synonyms: 8-{(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl}-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCn1c(N/N=C(/c2ccc(cc2)Cl)\C)nc2c1c(=O)[nH]c(=O)n2C
STK833896
Synonyms: 4-[3-(4-bromophenyl)-5-methyl-1-benzofuran-2-yl]butan-2-one
Smiles: CC(=O)CCc1oc2c(c1c1ccc(cc1)Br)cc(cc2)C
STK833897
Synonyms: 3-ethyl-1-methyl-6,7-dihydro[1,3]thiazolo[2,3-f]purine-2,4(1H,3H)-dione
Smiles: CCn1c(=O)n(C)c2c(c1=O)n1CCSc1n2
STK833898
Synonyms: 7-(2-methoxyethyl)-3-methyl-8-[(3-phenylpropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: COCCn1c(SCCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C
STK833899
Synonyms: 6-methoxy-3-(4-phenyl-1,3-thiazol-2-yl)-2H-chromen-2-one
Smiles: COc1ccc2c(c1)cc(c(=O)o2)c1scc(n1)c1ccccc1
STK833901
Synonyms: 3-methyl-6-(morpholin-4-yl)-1-phenyl-4,4-bis(trifluoromethyl)-1,4-dihydropyrazolo[4,3-e][1,3]oxazine
Smiles: Cc1nn(c2c1C(N=C(O2)N1CCOCC1)(C(F)(F)F)C(F)(F)F)c1ccccc1
STK833902
Synonyms: 3-(piperidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Smiles: O=C1c2ccccc2c2c3c1ccc(c3no2)N1CCCCC1
STK833904
Synonyms: 8-(benzylsulfanyl)-3-methyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(SCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C
STK833905
Synonyms: 3-methyl-7-(3-methylbutyl)-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCOCC1)C
STK833906
Synonyms: 4-hydroxy-N-(3-methylphenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: Cc1cccc(c1)NC(=O)c1c(=O)[nH]c2c(c1O)cccc2
STK833907
Synonyms: ethyl(2E)-2-(4-chlorobenzylidene)-7-methyl-3-oxo-5-[(E)-2-phenylethenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1/C=C/c1ccccc1)c(=O)/c(=C\c1ccc(cc1)Cl)/s2
STK833908
Synonyms: 1-hexyl-4-hydroxy-N-(3-methylpyridin-2-yl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: CCCCCCn1c(=O)c(C(=O)Nc2ncccc2C)c(c2c1cccc2)O
STK833909
Synonyms: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(pyridin-4-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: N#Cc1c(SCC(=O)c2ccc(cc2)Cl)nc2c(c1c1ccncc1)CCCC2
STK833910
Synonyms: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-methylphenyl)-6-phenylpyrimidine
Smiles: Cc1ccc(cc1)c1cc(nc(n1)n1nc(cc1C)C)c1ccccc1
STK833912
Synonyms: ethyl2-(4-hydroxyphenyl)quinoline-4-carboxylate
Smiles: CCOC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)O
STK833913
Synonyms: N-(3-bromo-4-methylphenyl)-7-chloro-4-nitro-2,1,3-benzoxadiazol-5-amine
Smiles: Brc1cc(ccc1C)Nc1cc(Cl)c2c(c1[N+](=O)[O-])non2
STK833914
Synonyms: (5Z)-5-(4-methoxybenzylidene)-1-(2-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(cc1)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccccc1OC
STK833915
Synonyms: 8-(benzylsulfanyl)-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCn1c(SCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C
STK833916
Synonyms: 2-(morpholin-4-ylcarbonyl)phenyl4-fluorobenzoate
Smiles: Fc1ccc(cc1)C(=O)Oc1ccccc1C(=O)N1CCOCC1
STK833918
Synonyms: 3-methyl-7-(3-phenylpropyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=c1[nH]c(=O)n(c2c1n(CCCc1ccccc1)c(n2)S)C
STK833919
Synonyms: (5E)-5-(3-ethoxy-4-hydroxybenzylidene)-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCOc1cc(ccc1O)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)OC
STK833924
Synonyms: 2-(3-butyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)-1-(4-ethoxyphenyl)ethanol
Smiles: CCCCn1c2ccccc2n(c1=N)CC(c1ccc(cc1)OCC)O
STK833928
Synonyms: ethyl5-cyano-2-methyl-6-oxo-1,4,5,6-tetrahydro-4,4'-bipyridine-3-carboxylate
Smiles: CCOC(=O)C1=C(C)NC(=O)C(C1c1ccncc1)C#N
STK833929
Synonyms: 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-8-[(2-hydroxyethyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCSc1nc2c(n1CC(COc1ccc(cc1)CC)O)c(=O)[nH]c(=O)n2C
STK833930
Synonyms: 1-(2,6-dinitrophenyl)-4-(diphenylmethyl)piperazine
Smiles: [O-][N+](=O)c1cccc(c1N1CCN(CC1)C(c1ccccc1)c1ccccc1)[N+](=O)[O-]
STK833931
Synonyms: 2-(4-bromophenyl)-4-hydrazinylquinazoline
Smiles: NNc1nc(nc2c1cccc2)c1ccc(cc1)Br
STK833932
Synonyms: (5E)-5-(4-hydroxy-3-methoxybenzylidene)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1cc(ccc1O)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccccc1
STK833938
Synonyms: dipropan-2-yl5-(2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,4,2,3-dithiadiazolidine-2,3-dicarboxylate
Smiles: CC(OC(=O)N1SC(=C2c3cc(C)ccc3NC(C2=S)(C)C)SN1C(=O)OC(C)C)C
STK833939
Synonyms: 1-ethyl-N-(2-ethyl-4-oxoquinazolin-3(4H)-yl)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: CCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)c2ccccc2n(c1=O)CC
STK833940
Synonyms: 5-hydroxy-3-(4-methylphenoxy)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Smiles: Cc1ccc(cc1)Oc1cc(O)c2c3c1noc3c1c(C2=O)cccc1
STK833941
Synonyms: 7-hexyl-3-methyl-8-[2-(propan-2-ylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCn1c(NN=C(C)C)nc2c1c(=O)[nH]c(=O)n2C
STK833942
Synonyms: N'-[(1Z)-1-(6-hexyl-7-hydroxy-2-oxo-2H-chromen-3-yl)ethylidene]benzohydrazide
Smiles: CCCCCCc1cc2cc(/C(=N\NC(=O)c3ccccc3)/C)c(=O)oc2cc1O
STK833943
Synonyms: 2-ethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CCc1nc2c3ccccc3CC3(c2c(=O)[nH]1)CCCC3
STK833944
Synonyms: 2-(2-chlorophenyl)-N-(4-fluorophenyl)quinazolin-4-amine
Smiles: Fc1ccc(cc1)Nc1nc(nc2c1cccc2)c1ccccc1Cl
STK833947
Synonyms: ethyl4-hydroxy-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydroquinoline-3-carboxylate
Smiles: C=CCn1c(=O)c(C(=O)OCC)c(c2c1cccc2)O
STK833949
Synonyms: 7-[(2E)-but-2-en-1-yl]-3-methyl-8-[(2-methylprop-2-en-1-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: C/C=C/Cn1c(SCC(=C)C)nc2c1c(=O)[nH]c(=O)n2C
STK833950
Synonyms: methyl3-[(1E)-2-nitroprop-1-en-1-yl]-1H-indole-7-carboxylate
Smiles: COC(=O)c1cccc2c1[nH]cc2/C=C(/[N+](=O)[O-])\C
STK833951
Synonyms: (2E)-2-(4-phenyl-1,3-thiazol-2-yl)-3-{[4-(propan-2-yl)phenyl]amino}prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)C(C)C)/c1scc(n1)c1ccccc1
STK833954
Synonyms: 3-acetyl-6-nitro-2H-chromen-2-one
Smiles: CC(=O)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]
STK833955
Synonyms: 2-[4-(4-nitro-2,1,3-benzoxadiazol-5-yl)piperazin-1-yl]ethanol
Smiles: OCCN1CCN(CC1)c1ccc2c(c1[N+](=O)[O-])non2
STK833959
Synonyms: 7-(2-methoxyethyl)-3-methyl-8-(propan-2-ylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: COCCn1c(SC(C)C)nc2c1c(=O)[nH]c(=O)n2C
STK833960
Synonyms: 8,13-dioxo-13,14-dihydro-8H-naphtho[2,3-a]phenothiazin-7-ylacetate
Smiles: CC(=O)Oc1cc2sc3ccccc3[nH]c2c2c1c(=O)c1c(c2=O)cccc1
STK833964
Synonyms: N-(2,4-dimethylphenyl)-7-(4-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Smiles: CC1CCN(CC1)c1cc(Nc2ccc(cc2C)C)c(c2c1non2)[N+](=O)[O-]
STK833965
Synonyms: 4,6-di-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazol-7-ol
Smiles: COc1ccc(cc1)c1nc2c(o1)c(O)c(cc2C(C)(C)C)C(C)(C)C
STK833966
Synonyms: ethyl(2E)-2-(2-chlorobenzylidene)-7-methyl-5-(3-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1cccc(c1)[N+](=O)[O-])c(=O)/c(=C\c1ccccc1Cl)/s2
STK833968
Synonyms: benzyl({7-[(2E)-but-2-en-1-yl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetate
Smiles: C/C=C/Cn1c(SCC(=O)OCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C
STK833969
Synonyms: N-(3,4-difluorophenyl)-4-hydroxy-2-oxo-1-propyl-1,2-dihydroquinoline-3-carboxamide
Smiles: CCCn1c(=O)c(C(=O)Nc2ccc(c(c2)F)F)c(c2c1cccc2)O
STK833970
Synonyms: 7-(2-chlorobenzyl)-3-methyl-8-(pentylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCSc1nc2c(n1Cc1ccccc1Cl)c(=O)[nH]c(=O)n2C
STK833971
Synonyms: (2E)-3-(5-bromofuran-2-yl)-2-[4-(3-oxo-3H-benzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(o1)Br)/c1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1
STK833973
Synonyms: N-(2-benzyl-4-oxoquinazolin-3(4H)-yl)-4-hydroxy-2-oxo-1-propyl-1,2-dihydroquinoline-3-carboxamide
Smiles: CCCn1c(=O)c(C(=O)Nn2c(Cc3ccccc3)nc3c(c2=O)cccc3)c(c2c1cccc2)O
STK833975
Synonyms: 4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-carbonitrile
Smiles: N#CC1(CCOCC1)c1ccc(c(c1)OC)OC
STK833978
Synonyms: 3,5-bis(4-tert-butylphenoxy)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Smiles: O=C1c2ccccc2c2c3c1c(Oc1ccc(cc1)C(C)(C)C)cc(c3no2)Oc1ccc(cc1)C(C)(C)C
STK833979
Synonyms: ethyl(2E)-3-[(4-bromophenyl)amino]-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxopropanoate
Smiles: CCOC(=O)/C(=C\1/NC(C)(C)Cc2c1cccc2)/C(=O)Nc1ccc(cc1)Br
STK833980
Synonyms: N'-[(2Z)-3-oxo-1-benzothiophen-2(3H)-ylidene]-N-phenylacetohydrazide
Smiles: CC(=O)N(c1ccccc1)/N=C/1\Sc2c(C1=O)cccc2
STK833981
Synonyms: 3-methyl-7-(3-methylbenzyl)-8-[(3-phenylpropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1cccc(c1)Cn1c(SCCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C
STK833982
Synonyms: 2-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]sulfanyl}-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: N#Cc1c(SCC(=O)c2cc3ccccc3oc2=O)nc2c(c1c1cccs1)CCCC2
STK833983
Synonyms: (2Z)-3-(3-hydroxy-4-methoxyphenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/c1ccc(c(c1)O)OC)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]
STK833984
Synonyms: 4-(2-chlorophenyl)-5-cyano-6-(hexylsulfanyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Smiles: CCCCCCSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1)c1ccccc1Cl
STK833985
Synonyms: N-[(1E)-1-(3,4-dimethoxyphenyl)-3-oxo-3-(pyrrolidin-1-yl)prop-1-en-2-yl]benzamide
Smiles: COc1cc(ccc1OC)/C=C(\C(=O)N1CCCC1)/NC(=O)c1ccccc1
STK833986
Synonyms: 8-[(2-chlorobenzyl)sulfanyl]-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccccc1CSc1nc2c(n1CCCc1ccccc1)c(=O)[nH]c(=O)n2C
STK833987
Synonyms: 2-[3-(4-methoxyphenyl)propyl]-1H-benzimidazole
Smiles: COc1ccc(cc1)CCCc1nc2c([nH]1)cccc2
STK833988
Synonyms: ethyl2-(1,3-benzothiazol-2-ylamino)-N-(dimethylcarbamoyl)-3,3,3-trifluoroalaninate
Smiles: CCOC(=O)C(C(F)(F)F)(NC(=O)N(C)C)Nc1nc2c(s1)cccc2
STK833989
Synonyms: N-cyclohexyl-6-oxo-6H-anthra[1,9-cd][1,2]oxazole-3-carboxamide
Smiles: O=C(c1ccc2c3c1noc3c1c(C2=O)cccc1)NC1CCCCC1
STK833990
Synonyms: 3-chloro-N-[(1Z)-4,4,7-trimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]aniline
Smiles: Cc1ccc2c(c1)NC(c1c2/c(=N/c2cccc(c2)Cl)/ss1)(C)C
STK833991
Synonyms: 5-cyano-6-(ethylsulfanyl)-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Smiles: CCSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1OC)c1ccco1
STK833993
Synonyms: ethyl{[3-methyl-2,6-dioxo-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc2c(n1CCCc1ccccc1)c(=O)[nH]c(=O)n2C
STK833994
Synonyms: 2-{[3-methyl-2,6-dioxo-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
Smiles: NC(=O)CSc1nc2c(n1CCCc1ccccc1)c(=O)[nH]c(=O)n2C
STK833995
Synonyms: N-(2-methylphenyl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazole-3-carboxamide
Smiles: Cc1ccccc1NC(=O)c1ccc2c3c1noc3c1c(C2=O)cccc1
STK833996
Synonyms: 8-[(2E)-2-benzylidenehydrazinyl]-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(N/N=C/c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C)COc1ccccc1C
STK833997
Synonyms: 5,5-dimethyl-1-(piperidin-1-ylcarbonyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-2,3-dione
Smiles: O=C(C1=C2c3ccccc3CC(N2C(=O)C1=O)(C)C)N1CCCCC1
STK833999
Synonyms: butyl4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate
Smiles: CCCCOC(=O)c1ccc(cc1)NC(=O)C(=O)NCc1ccc2c(c1)OCO2
STK834000
Synonyms: 8-[(2-hydroxypropyl)sulfanyl]-3-methyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(SCC(O)C)nc2c1c(=O)[nH]c(=O)n2C
STK834001
Synonyms: N-(2,4-dichlorophenyl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-amine
Smiles: Clc1ccc(c(c1)Cl)Nc1nc2ccccc2nc1n1nc(cc1C)C
STK834002
Synonyms: ethyl[(2E)-2-(2-fluorobenzylidene)hydrazinyl](oxo)acetate
Smiles: CCOC(=O)C(=O)N/N=C/c1ccccc1F
STK834007
Synonyms: 2-{[3-methyl-7-(3-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-phenylacetamide
Smiles: O=C(Nc1ccccc1)CSc1nc2c(n1Cc1cccc(c1)C)c(=O)[nH]c(=O)n2C
STK834009
Synonyms: 4-hydroxy-2-oxo-1-(prop-2-en-1-yl)-N-(pyridin-3-ylmethyl)-1,2-dihydroquinoline-3-carboxamide
Smiles: C=CCn1c(=O)c(C(=O)NCc2cccnc2)c(c2c1cccc2)O
STK834010
Synonyms: (5E)-5-(4-chlorobenzylidene)-1-methylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Clc1ccc(cc1)/C=C/1\C(=O)NC(=O)N(C1=O)C
STK834011
Synonyms: 2-(3,4-dichlorophenyl)-4-(propan-2-yloxy)quinazoline
Smiles: CC(Oc1nc(nc2c1cccc2)c1ccc(c(c1)Cl)Cl)C
STK834012
Synonyms: 1-[2-(morpholin-4-yl)ethyl]-2-phenyl-1H-imidazo[1,2-a]benzimidazole
Smiles: O1CCN(CC1)CCn1c(cn2c1nc1c2cccc1)c1ccccc1
STK834014
Synonyms: (2E)-N-(4-ethoxybenzyl)-2-(quinolin-2-ylmethylidene)hydrazinecarbothioamide
Smiles: CCOc1ccc(cc1)CNC(=S)N/N=C/c1ccc2c(n1)cccc2
STK834015
Synonyms: ethyl(2E)-2-(4-chlorobenzylidene)-7-methyl-5-(3-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1cccc(c1)[N+](=O)[O-])c(=O)/c(=C\c1ccc(cc1)Cl)/s2
STK834016
Synonyms: 7-benzyl-3-methyl-8-(pentylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCSc1nc2c(n1Cc1ccccc1)c(=O)[nH]c(=O)n2C
STK834017
Synonyms: 2-chloro-N'-(2,8-dimethylquinolin-4-yl)benzohydrazide
Smiles: Cc1cc(NNC(=O)c2ccccc2Cl)c2c(n1)c(C)ccc2
STK834020
Synonyms: 6-bromo-3-(hydroxymethyl)-1,3-benzoxazol-2(3H)-one
Smiles: OCn1c(=O)oc2c1ccc(c2)Br
STK834021
Synonyms: 7-benzyl-8-bromo-3-methyl-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(=O)n(C)c2c(c1=O)n(Cc1ccccc1)c(n2)Br
STK834022
Synonyms: 2-(acridin-9-yl)-1-phenylethanone
Smiles: O=C(c1ccccc1)Cc1c2ccccc2nc2c1cccc2
STK834023
Synonyms: ethyl{[3-methyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate
Smiles: C=CCn1c(SCC(=O)OCC)nc2c1c(=O)[nH]c(=O)n2C
STK834024
Synonyms: 1-(4-methoxybenzyl)-3-[4-(propan-2-yloxy)benzyl]thiourea
Smiles: COc1ccc(cc1)CNC(=S)NCc1ccc(cc1)OC(C)C
STK834025
Synonyms: bis(4-methoxy-3-nitrophenyl)methanone
Smiles: COc1ccc(cc1[N+](=O)[O-])C(=O)c1ccc(c(c1)[N+](=O)[O-])OC
STK834026
Synonyms: (2E)-2-(4-bromobenzylidene)-6,7-dimethyl[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Smiles: Brc1ccc(cc1)/C=c\1/sc2n(c1=O)c1c(n2)cc(c(c1)C)C
STK834027
Synonyms: 2-[4-(4-phenylbutyl)benzylidene]-1H-indene-1,3(2H)-dione
Smiles: O=C1/C(=C/c2ccc(cc2)CCCCc2ccccc2)/C(=O)c2c1cccc2
STK834028
Synonyms: methyl(2E)-2-(2,4-dichlorobenzylidene)-7-methyl-3-oxo-5-[(E)-2-phenylethenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: COC(=O)C1=C(C)N=c2n(C1/C=C/c1ccccc1)c(=O)/c(=C\c1ccc(cc1Cl)Cl)/s2
STK834030
Synonyms: 3-methyl-7-(propan-2-yl)-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCSc1nc2c(n1C(C)C)c(=O)[nH]c(=O)n2C
STK834031
Synonyms: 1-ethyl-4-hydroxy-2-oxo-N-(pyridin-2-yl)-1,2-dihydroquinoline-3-carboxamide
Smiles: CCn1c(=O)c(C(=O)Nc2ccccn2)c(c2c1cccc2)O
STK834032
Synonyms: 8-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: C/C(=C/CSc1nc2c(n1C)c(=O)[nH]c(=O)n2C)/Cl
STK834033
Synonyms: ethyl(2E)-2-(2-fluorobenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1ccccc1F)/s2
STK834034
Synonyms: methyl2-[4-({[(2,4-dichlorophenyl)carbonyl]carbamothioyl}amino)-3-methoxyphenyl]-3,3,3-trifluoro-2-hydroxypropanoate
Smiles: COC(=O)C(C(F)(F)F)(c1ccc(c(c1)OC)NC(=S)NC(=O)c1ccc(cc1Cl)Cl)O
STK834035
Synonyms: 1-(3,6-dichloro-9H-carbazol-9-yl)-3-(naphthalen-1-ylamino)propan-2-ol
Smiles: OC(Cn1c2ccc(cc2c2c1ccc(c2)Cl)Cl)CNc1cccc2c1cccc2
STK834037
Synonyms: 3-[(5-acetyl-2-methoxybenzyl)sulfanyl]propanenitrile
Smiles: COc1ccc(cc1CSCCC#N)C(=O)C
STK834038
Synonyms: 3-methyl-7-(2-methylprop-2-en-1-yl)-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(=C)Cn1c(SCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C
STK834042
Synonyms: 4-hydroxy-2-oxo-N'-(phenylcarbonyl)-1,2-dihydroquinoline-3-carbohydrazide
Smiles: O=C(c1ccccc1)NNC(=O)c1c(=O)[nH]c2c(c1O)cccc2
STK834043
Synonyms: 2-cyclohexyl-1H-naphtho[2,3-g]indazole-3,6,11(2H)-trione
Smiles: O=c1n([nH]c2c1ccc1c2c(=O)c2c(c1=O)cccc2)C1CCCCC1
STK834044
Synonyms: 5-cyano-6-(ethylsulfanyl)-2-methyl-N-phenyl-1,4-dihydro-4,4'-bipyridine-3-carboxamide
Smiles: CCSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1)c1ccncc1
STK834046
Synonyms: 1-butyl-N-(2-chlorophenyl)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: CCCCn1c(=O)c(C(=O)Nc2ccccc2Cl)c(c2c1cccc2)O
STK834047
Synonyms: N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]-2-(thiophen-2-yl)quinoline-4-carbohydrazide
Smiles: Brc1ccc(c(c1)/C=N/NC(=O)c1cc(nc2c1cccc2)c1cccs1)O
STK834049
Synonyms: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCCCC1)COc1ccc(cc1)Cl
STK834050
Synonyms: N-(pyridin-4-ylmethyl)-N'-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3-thiazol-2-yl]ethanediamide
Smiles: O=C(C(=O)NCc1ccncc1)Nc1scc(n1)C12CC3CC(C2)CC(C1)C3
STK834051
Synonyms: ethyl(2E)-5-[4-(acetyloxy)phenyl]-2-(2-chlorobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)/c(=C\c1ccccc1Cl)/s2
STK834052
Synonyms: N-{(1E)-1-(3,4-dimethoxyphenyl)-3-oxo-3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]prop-1-en-2-yl}benzamide
Smiles: COc1cc(ccc1OC)/C=C(\C(=O)N/N=C/c1ccccn1)/NC(=O)c1ccccc1
STK834055
Synonyms: N~6~-(2,4-dimethylphenyl)-N~4~,N~4~-diethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine
Smiles: CCN(c1cc(Nc2ccc(cc2C)C)c(c2c1non2)[N+](=O)[O-])CC
STK834056
Synonyms: 3-[4-(biphenyl-4-yl)-1,3-thiazol-2-yl]-6-methoxy-2H-chromen-2-one
Smiles: COc1ccc2c(c1)cc(c(=O)o2)c1scc(n1)c1ccc(cc1)c1ccccc1
STK834057
Synonyms: (5Z)-5-(furan-2-ylmethylidene)-1-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: C=CCN1C(=O)NC(=O)/C(=C/c2ccco2)/C1=O
STK834058
Synonyms: ethyl4-{(2Z)-3-(2-fluorophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)C(=O)/C(=C/c1ccccc1F)/NC(=O)c1ccccc1
STK834059
Synonyms: ethyl(2E)-5-[4-(acetyloxy)phenyl]-2-[4-(dimethylamino)benzylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)/c(=C\c1ccc(cc1)N(C)C)/s2
STK834060
Synonyms: (5E)-5-(3,4-dihydroxybenzylidene)-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2ccc(c(c2)O)O)/C1=O
STK834061
Synonyms: (2E)-1-(2,4-dimethoxyphenyl)-3-[(2-methyl-5-nitrophenyl)amino]prop-2-en-1-one
Smiles: COc1ccc(c(c1)OC)C(=O)/C=C/Nc1cc(ccc1C)[N+](=O)[O-]
STK834062
Synonyms: 4,4'-quinoxaline-2,3-diylbis(2-nitroaniline)
Smiles: [O-][N+](=O)c1cc(ccc1N)c1nc2ccccc2nc1c1ccc(c(c1)[N+](=O)[O-])N
STK834063
Synonyms: 7-[(2-hydroxyethyl)amino]-3-methyl-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: OCCNc1cc2oc3cc(C)ccc3[nH]c2c2c1c(=O)c1c(c2=O)cccc1
STK834064
Synonyms: 3-(4-fluorobenzyl)-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: Fc1ccc(cc1)Cn1cnc2c(c1=O)[nH]c1c2cc(cc1)C
STK834065
Synonyms: 1,7-dibenzyl-8-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: C/C(=C/CSc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)Cc1ccccc1)/Cl
STK834066
Synonyms: ethyl3,3,3-trifluoro-N-[(2-fluorophenyl)carbonyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]alaninate
Smiles: CCOC(=O)C(C(F)(F)F)(NC(=O)c1ccccc1F)Nc1noc(c1)C
STK834068
Synonyms: 2-[(3-cyano-4,6-diphenylpyridin-2-yl)sulfanyl]-N'-[(E)-(2-hydroxy-4-methylphenyl)methylidene]acetohydrazide
Smiles: N#Cc1c(SCC(=O)N/N=C/c2ccc(cc2O)C)nc(cc1c1ccccc1)c1ccccc1
STK834069
Synonyms: N'-[(1Z)-1-(7-hydroxy-2-oxo-2H-chromen-3-yl)ethylidene]benzohydrazide
Smiles: Oc1ccc2c(c1)oc(=O)c(c2)/C(=N\NC(=O)c1ccccc1)/C
STK834072
Synonyms: 2-[(Z)-(3-chlorobenzylidene)(oxido)-lambda~5~-azanyl]-2-methylcyclohexanone
Smiles: Clc1cccc(c1)/C=[N+](/C1(C)CCCCC1=O)\[O-]
STK834073
Synonyms: (2E)-1-(1-hydroxynaphthalen-2-yl)-3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]prop-2-en-1-one
Smiles: COc1ccc(cc1CN1CCOCC1)/C=C/C(=O)c1ccc2c(c1O)cccc2
STK834075
Synonyms: 1-{3-[(4,6-dihydroxy-2-sulfanylpyrimidin-5-yl)methyl]-4-methoxyphenyl}ethanone
Smiles: COc1ccc(cc1Cc1c(O)nc(nc1O)S)C(=O)C
STK834078
Synonyms: 3-[(2E)-3-chlorobut-2-en-1-yl]-1-methyl-6,7-dihydro[1,3]thiazolo[2,3-f]purine-2,4(1H,3H)-dione
Smiles: C/C(=C\Cn1c(=O)n(C)c2c(c1=O)n1CCSc1n2)/Cl
STK834079
Synonyms: (2E)-1-(2,4-dimethoxyphenyl)-3-[(2-iodophenyl)amino]prop-2-en-1-one
Smiles: COc1cc(OC)ccc1C(=O)/C=C/Nc1ccccc1I
STK834080
Synonyms: N-[(1E)-1-(hydroxyimino)-2-methylpropan-2-yl]-N-[(Z)-phenylmethylidene]amineoxide
Smiles: O/N=C/C(/[N+](=C/c1ccccc1)/[O-])(C)C
STK834081
Synonyms: 4-hydroxy-2-oxo-N-(4-oxo-2-propylquinazolin-3(4H)-yl)-1-propyl-1,2-dihydroquinoline-3-carboxamide
Smiles: CCCn1c(=O)c(C(=O)Nn2c(CCC)nc3c(c2=O)cccc3)c(c2c1cccc2)O
STK834082
Synonyms: 8-[(2-chlorobenzyl)sulfanyl]-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COCCn1c(SCc2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C
STK834083
Synonyms: 2-(4-chlorophenyl)-2-oxoethyl9-oxo-9H-fluorene-2-carboxylate
Smiles: Clc1ccc(cc1)C(=O)COC(=O)c1ccc2c(c1)C(=O)c1c2cccc1
STK834086
Synonyms: N-benzyl-N-(4-methylphenyl)pyridine-4-carboxamide
Smiles: Cc1ccc(cc1)N(C(=O)c1ccncc1)Cc1ccccc1
STK834087
Synonyms: 8-{(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl}-3-methyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CCn1c(N/N=C(/c2ccc(cc2)O)\C)nc2c1c(=O)[nH]c(=O)n2C)C
STK834088
Synonyms: 8-[(2E)-2-benzylidenehydrazinyl]-7-[2-hydroxy-3-(propan-2-yloxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(N/N=C/c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C)COC(C)C
STK834089
Synonyms: 8-(azepan-1-yl)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCCCCC1
STK834090
Synonyms: 2-hydrazinyl-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: NNc1nc2c3ccccc3CC3(c2c(=O)n1C)CCCCC3
STK834091
Synonyms: 4-(2-methoxyphenyl)-6-phenyl-2-(prop-2-en-1-ylsulfanyl)pyridine-3-carbonitrile
Smiles: C=CCSc1nc(cc(c1C#N)c1ccccc1OC)c1ccccc1
STK834092
Synonyms: 2-[(2E)-2-(2,4-dimethoxybenzylidene)hydrazinyl]-3-methylquinoxaline
Smiles: COc1cc(OC)ccc1/C=N/Nc1nc2ccccc2nc1C
STK834096
Synonyms: 5-[(2-methylphenyl)amino]-3-(piperidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Smiles: Cc1ccccc1Nc1cc(N2CCCCC2)c2c3c1C(=O)c1ccccc1c3on2
STK834097
Synonyms: 1,3-bis(4-methoxyphenyl)-2-phenylimidazolidine
Smiles: COc1ccc(cc1)N1CCN(C1c1ccccc1)c1ccc(cc1)OC
STK834098
Synonyms: 2-(4-bromophenyl)-N-(2-chlorophenyl)quinazolin-4-amine
Smiles: Brc1ccc(cc1)c1nc(Nc2ccccc2Cl)c2c(n1)cccc2
STK834099
Synonyms: (2Z)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(2,4-diethoxyphenyl)prop-2-enenitrile
Smiles: CCOc1cc(OCC)ccc1/C=C(\c1scc(n1)c1ccc(cc1Cl)Cl)/C#N
STK834100
Synonyms: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-8-{(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1ccc(cc1)/C(=N\Nc1nc2c(n1CC(COc1ccccc1C)O)c(=O)[nH]c(=O)n2C)/C
STK834101
Synonyms: 3-methyl-6-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl][1,2,4]triazolo[4,3-b]pyridazine
Smiles: Cc1nnc2n1nc(N/N=C/c1cccnc1)cc2
STK834102
Synonyms: ethyl(2E)-2-(3,4-dichlorobenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1ccc(c(c1)Cl)Cl)/s2
STK834104
Synonyms: 8-[(2-hydroxyethyl)sulfanyl]-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCSc1nc2c(n1CCCc1ccccc1)c(=O)[nH]c(=O)n2C
STK834105
Synonyms: 2,4,6-trimethyl-7-oxocyclohepta-1,3,5-trien-1-yl4-methylbenzenesulfonate
Smiles: Cc1ccc(cc1)S(=O)(=O)Oc1c(C)cc(cc(c1=O)C)C
STK834107
Synonyms: 1-ethyl-6-fluoro-7-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
Smiles: CCn1cc(C(=O)Nc2nnc(s2)C)c(=O)c2c1cc(N1CCN(CC1)C(=O)c1ccco1)c(c2)F
STK834108
Synonyms: 8-bromo-7-(2-chloroethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: ClCCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C
STK834109
Synonyms: (2E)-2-(4-bromobenzylidene)-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3(2H)-one
Smiles: Brc1ccc(cc1)/C=c\1/sc2n(c1=O)c(c(n2)c1ccccc1)c1ccccc1
STK834110
Synonyms: N-(4-bromophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Smiles: Brc1ccc(cc1)Nc1ccc2c(c1[N+](=O)[O-])non2
STK834111
Synonyms: ethyl(2E)-5-[4-(acetyloxy)phenyl]-2-benzylidene-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)/c(=C\c1ccccc1)/s2
STK834112
Synonyms: N-(4-{[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino}phenyl)acetamide
Smiles: N#C/C(=C\Nc1ccc(cc1)NC(=O)C)/c1scc(n1)c1ccccc1
STK834113
Synonyms: N-(3,4-difluorophenyl)-1-hexyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: CCCCCCn1c(=O)c(C(=O)Nc2ccc(c(c2)F)F)c(c2c1cccc2)O
STK834115
Synonyms: ethyl(2E)-2-(4-methoxybenzylidene)-7-methyl-3-oxo-5-[(E)-2-phenylethenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1/C=C/c1ccccc1)c(=O)/c(=C\c1ccc(cc1)OC)/s2
STK834116
Synonyms: (2E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(naphthalen-2-ylamino)prop-2-enenitrile
Smiles: COc1ccc(cc1)c1csc(n1)/C(=C/Nc1ccc2c(c1)cccc2)/C#N
STK834117
Synonyms: 2-[2-imino-3-(2-methylbenzyl)-2,3-dihydro-1H-benzimidazol-1-yl]-1-(4-nitrophenyl)ethanone
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])Cn1c(=N)n(c2c1cccc2)Cc1ccccc1C
STK834119
Synonyms: 2-{[(E)-furan-2-ylmethylidene]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Smiles: N#Cc1c(/N=C/c2ccco2)sc2c1CCC(C2)C
STK834120
Synonyms: 7-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-8-(propan-2-ylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(Sc1nc2c(n1C/C=C(\Cl)/C)c(=O)[nH]c(=O)n2C)C
STK834121
Synonyms: 1-ethyl-4-hydroxy-2-oxo-N-(4-oxo-2-propylquinazolin-3(4H)-yl)-1,2-dihydroquinoline-3-carboxamide
Smiles: CCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)c2ccccc2n(c1=O)CC
STK834123
Synonyms: (2E)-3-[(4-chloro-2-nitrophenyl)amino]-1-(2,4-dimethoxyphenyl)prop-2-en-1-one
Smiles: COc1cc(OC)ccc1C(=O)/C=C/Nc1ccc(cc1[N+](=O)[O-])Cl
STK834124
Synonyms: 2-(2,5-dimethylphenyl)-1H-naphtho[2,3-g]indazole-3,6,11(2H)-trione
Smiles: Cc1ccc(c(c1)n1[nH]c2c(c1=O)ccc1c2c(=O)c2ccccc2c1=O)C
STK834125
Synonyms: 2-(furan-2-yl)-1,3-dimethyl-2,3-dihydro-1H-benzimidazole
Smiles: CN1c2ccccc2N(C1c1ccco1)C
STK834126
Synonyms: 7-hexyl-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCCCC1
STK834127
Synonyms: 3-[(4-chlorophenyl)carbonyl]-6-methoxy-4H-chromen-4-one
Smiles: COc1ccc2c(c1)c(=O)c(co2)C(=O)c1ccc(cc1)Cl
STK834128
Synonyms: 4-chloro-2-phenyl-6H-spiro[benzo[h]quinazoline-5,1'-cyclohexane]
Smiles: Clc1nc(nc2c1C1(CCCCC1)Cc1c2cccc1)c1ccccc1
STK834129
Synonyms: 2,6-di-tert-butyl-4-[5,6-dimethoxy-2-(4-methoxyphenyl)-1H-benzimidazol-1-yl]phenol
Smiles: COc1ccc(cc1)c1nc2c(n1c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)cc(c(c2)OC)OC
STK834130
Synonyms: 6-[(2E)-2-(2-methoxybenzylidene)hydrazinyl]-3-methyl[1,2,4]triazolo[4,3-b]pyridazine
Smiles: COc1ccccc1/C=N/Nc1ccc2n(n1)c(C)nn2
STK834133
Synonyms: ethyl(2E)-2-[4-(dimethylamino)benzylidene]-7-methyl-5-(3-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1cccc(c1)[N+](=O)[O-])c(=O)/c(=C\c1ccc(cc1)N(C)C)/s2
STK834134
Synonyms: 2,4-dichloro-N-{2-[(3-ethyloxetan-3-yl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl}benzamide
Smiles: CCC1(COC1)COC(C(F)(F)F)(C(F)(F)F)NC(=O)c1ccc(cc1Cl)Cl
STK834135
Synonyms: 3-chloro-6H-anthra[1,9-cd][1,2]oxazol-6-one
Smiles: O=C1c2ccccc2c2c3c1ccc(c3no2)Cl
STK834137
Synonyms: N,2-bis(2-chlorophenyl)quinazolin-4-amine
Smiles: Clc1ccccc1Nc1nc(nc2c1cccc2)c1ccccc1Cl
STK834138
Synonyms: ethyl(2E)-5-[4-(acetyloxy)phenyl]-7-methyl-3-oxo-2-[(2E)-3-phenylprop-2-en-1-ylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)/c(=C\C=C\c1ccccc1)/s2
STK834139
Synonyms: N~6~-(2,4-dimethylphenyl)-N~4~,N~4~-dimethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine
Smiles: Cc1ccc(c(c1)C)Nc1cc(N(C)C)c2c(c1[N+](=O)[O-])non2
STK834140
Synonyms: 4-nitro-N',N'-diphenylbenzohydrazide
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])NN(c1ccccc1)c1ccccc1
STK834141
Synonyms: 3,4-dimethyl-N-[(1Z)-4,4,7-trimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]aniline
Smiles: Cc1ccc2c(c1)NC(c1c2/c(=N/c2ccc(c(c2)C)C)/ss1)(C)C
STK834142
Synonyms: 4-hydroxy-1-methyl-2-oxo-N-(pyridin-2-yl)-1,2-dihydroquinoline-3-carboxamide
Smiles: O=C(c1c(O)c2ccccc2n(c1=O)C)Nc1ccccn1
STK834143
Synonyms: ethyl(2E)-2-(2,4-dichlorobenzylidene)-5-(2-fluorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1F)c(=O)/c(=C\c1ccc(cc1Cl)Cl)/s2
STK834145
Synonyms: N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}acetamide
Smiles: COc1nc(OC)nc(c1)NS(=O)(=O)c1ccc(cc1)NC(=O)C
STK834146
Synonyms: 4-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxo-1-pentyl-1,2-dihydroquinoline-3-carboxamide
Smiles: CCCCCn1c(=O)c(C(=O)Nc2nnc(s2)CC(C)C)c(c2c1cccc2)O
STK834148
Synonyms: (2Z)-2-cyano-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N-(2,4-dimethylphenyl)ethanamide
Smiles: N#C/C(=C\1/NC(C)(C)Cc2c1cccc2)/C(=O)Nc1ccc(cc1C)C
STK834149
Synonyms: 2-amino-6-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-4-(propan-2-yl)pyridine-3,5-dicarbonitrile
Smiles: N#Cc1c(SCC(=O)c2ccc(c(c2)Cl)Cl)nc(c(c1C(C)C)C#N)N
STK834152
Synonyms: ethyl(2E)-5-(4-chlorophenyl)-7-methyl-3-oxo-2-[(2E)-3-phenylprop-2-en-1-ylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)/c(=C\C=C\c1ccccc1)/s2
STK834153
Synonyms: ethyl{[6-amino-3,5-dicyano-4-(4-hydroxyphenyl)pyridin-2-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc(N)c(c(c1C#N)c1ccc(cc1)O)C#N
STK834154
Synonyms: 5-(5-methylfuran-2-yl)-1-phenyl-3-(2,4,5-trimethylphenyl)-4,5-dihydro-1H-pyrazole
Smiles: Cc1ccc(o1)C1CC(=NN1c1ccccc1)c1cc(C)c(cc1C)C
STK834155
Synonyms: 8-(azepan-1-yl)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCCCCC1)COc1ccccc1C
STK834156
Synonyms: 4-hydroxy-2-oxo-N-(4-oxo-2-pentylquinazolin-3(4H)-yl)-1,2-dihydroquinoline-3-carboxamide
Smiles: CCCCCc1nc2ccccc2c(=O)n1NC(=O)c1c(=O)[nH]c2c(c1O)cccc2
STK834157
Synonyms: 2-methyl-2-[(Z)-oxido(1H-pyrrol-2-ylmethylidene)-lambda~5~-azanyl]cyclohexanone
Smiles: O=C1CCCCC1(C)/[N+](=C/c1ccc[nH]1)/[O-]
STK834160
Synonyms: N-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]acetamide
Smiles: CC(=O)N/C=C/1\C(=O)c2c(C1=O)cccc2
STK834162
Synonyms: 4-hydroxy-1-methyl-N-(2-methylphenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: Cc1ccccc1NC(=O)c1c(O)c2ccccc2n(c1=O)C
STK834163
Synonyms: 8-{(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl}-3-methyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(N/N=C(/c2ccc(cc2)O)\C)nc2c1c(=O)[nH]c(=O)n2C
STK834164
Synonyms: N-propyl-N'-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3-thiazol-2-yl]ethanediamide
Smiles: CCCNC(=O)C(=O)Nc1scc(n1)C12CC3CC(C2)CC(C1)C3
STK834165
Synonyms: 2-[(3-methyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
Smiles: CCCCCn1c(SCC(=O)N)nc2c1c(=O)[nH]c(=O)n2C
STK834166
Synonyms: 3-methyl-7-(3-methylbenzyl)-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(=O)CSc1nc2c(n1Cc1cccc(c1)C)c(=O)[nH]c(=O)n2C
STK834168
Synonyms: 8-hydrazinyl-3-methyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: NNc1nc2c(n1Cc1cccc(c1)C)c(=O)[nH]c(=O)n2C
STK834169
Synonyms: 3-(4-tert-butylphenoxy)-5-hydroxy-6H-anthra[1,9-cd][1,2]oxazol-6-one
Smiles: Oc1cc(Oc2ccc(cc2)C(C)(C)C)c2c3c1C(=O)c1ccccc1c3on2
STK834171
Synonyms: (4E)-2-phenyl-4-[(5-phenylfuran-2-yl)methylidene]-1,3-oxazol-5(4H)-one
Smiles: O=C1OC(=N/C/1=C/c1ccc(o1)c1ccccc1)c1ccccc1
STK834172
Synonyms: 1-[3-(3,6-dichloro-9H-carbazol-9-yl)-2-hydroxypropyl]pyrrolidine-2,5-dione
Smiles: OC(Cn1c2ccc(cc2c2c1ccc(c2)Cl)Cl)CN1C(=O)CCC1=O
STK834175
Synonyms: N-[4-({(E)-2-cyano-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]ethenyl}amino)phenyl]acetamide
Smiles: N#C/C(=C\Nc1ccc(cc1)NC(=O)C)/c1scc(n1)c1ccc(cc1C)C
STK834177
Synonyms: 7',7'-dimethyl-2'-(methylsulfanyl)-5'-oxo-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,4'-quinoline]-3'-carbonitrile
Smiles: CSC1=C(C#N)C2(C3=C(N1)CC(C)(C)CC3=O)CCCCC2
STK834178
Synonyms: 1-ethyl-4-hydroxy-2-oxo-N'-(phenylacetyl)-1,2-dihydroquinoline-3-carbohydrazide
Smiles: CCn1c(=O)c(C(=O)NNC(=O)Cc2ccccc2)c(c2c1cccc2)O
STK834183
Synonyms: 8-[(3-chloro-2-hydroxypropyl)sulfanyl]-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: ClCC(CSc1nc2c(n1CCCc1ccccc1)c(=O)[nH]c(=O)n2C)O
STK834184
Synonyms: [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl](methoxymethyl)cyanamide
Smiles: COCN(c1nc(nc(n1)N(C)C)N(C)C)C#N
STK834188
Synonyms: 2-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,3-dihydro-1H-benzimidazole
Smiles: COc1cc(ccc1OC)C1N(C)c2c(N1C)cccc2
STK834189
Synonyms: 7-(2-chlorobenzyl)-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccccc1Cn1c(S)nc2c1c(=O)[nH]c(=O)n2C
STK834190
Synonyms: ethyl3,3,3-trifluoro-2-methoxy-N-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)(propan-2-yl)carbamoyl]alaninate
Smiles: CCOC(=O)C(C(F)(F)F)(NC(=O)N(C1=NCC(S1)C)C(C)C)OC
STK834191
Synonyms: 8-{(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl}-3-methyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CCn1c(N/N=C(/c2ccc(cc2)Cl)\C)nc2c1c(=O)[nH]c(=O)n2C)C
STK834193
Synonyms: 8-[(2-hydroxyethyl)amino]-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COCCn1c(NCCO)nc2c1c(=O)[nH]c(=O)n2C
STK834194
Synonyms: ethyl{[3-cyano-4-(4-methoxyphenyl)-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc(C)c(c(c1C#N)c1ccc(cc1)OC)C(=O)Nc1ccccc1
STK834197
Synonyms: methyl4-{[(chloroacetyl)amino]methyl}thiophene-2-carboxylate
Smiles: ClCC(=O)NCc1csc(c1)C(=O)OC
STK834198
Synonyms: 1,4-di-tert-butyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
Smiles: CC(N1C(=O)NC2C1NC(=O)N2C(C)(C)C)(C)C
STK834199
Synonyms: 2,3-dihydro-1,4-benzodioxine-2-carbothioamide
Smiles: NC(=S)C1COc2c(O1)cccc2
STK834200
Synonyms: biphenyl-2-yl(4,4,7-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone
Smiles: Cc1ccc2c(c1)N(C(=O)c1ccccc1c1ccccc1)C(c1c2c(=S)ss1)(C)C
STK834201
Synonyms: 8-[(4-chlorobenzyl)sulfanyl]-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccc(cc1)Cn1c(SCc2ccc(cc2)Cl)nc2c1c(=O)[nH]c(=O)n2C
STK834204
Synonyms: ethyl(2E)-2-[4-(dimethylamino)benzylidene]-7-methyl-3-oxo-5-[(E)-2-phenylethenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1/C=C/c1ccccc1)c(=O)/c(=C\c1ccc(cc1)N(C)C)/s2
STK834206
Synonyms: 2-(4-chloro-2-methylphenoxy)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]propanehydrazide
Smiles: COc1cc(/C=N/NC(=O)C(Oc2ccc(cc2C)Cl)C)ccc1O
STK834208
Synonyms: N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-hydroxy-2-propylpentanehydrazide
Smiles: CCCC(C(=O)N/N=C/c1cc(Br)cc(c1O)Br)(CCC)O
STK834209
Synonyms: 4-methyl-4-{[3-(1-methylpiperidinium-1-yl)propanoyl]amino}tetrahydrothiophene-3-sulfonate1,1-dioxide
Smiles: O=C(NC1(C)CS(=O)(=O)CC1S(=O)(=O)[O-])CC[N+]1(C)CCCCC1
STK834211
Synonyms: 4-nitro-N-(tetrahydrofuran-2-ylmethyl)-2,1,3-benzoxadiazol-5-amine
Smiles: [O-][N+](=O)c1c(NCC2CCCO2)ccc2c1non2
STK834212
Synonyms: 3-methyl-8-[(2E)-2-(3-nitrobenzylidene)hydrazinyl]-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(N/N=C/c2cccc(c2)[N+](=O)[O-])nc2c1c(=O)[nH]c(=O)n2C
STK834217
Synonyms: 1-butyl-4-hydroxy-2-oxo-N-(pyridin-2-yl)-1,2-dihydroquinoline-3-carboxamide
Smiles: CCCCn1c(=O)c(C(=O)Nc2ccccn2)c(c2c1cccc2)O
STK834218
Synonyms: N-[(1E)-1-[4-(dimethylamino)phenyl]-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl]benzamide
Smiles: O=C(/C(=C\c1ccc(cc1)N(C)C)/NC(=O)c1ccccc1)NCCc1c[nH]c2c1cccc2
STK834220
Synonyms: 4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-ol
Smiles: Cc1ccc(cc1)n1nc(c(c1O)C1SCc2c(CS1)cc(c(c2)C)C)C
STK834221
Synonyms: (3-amino-4,5,6-trimethylthieno[2,3-b]pyridin-2-yl)(thiophen-2-yl)methanone
Smiles: O=C(c1sc2c(c1N)c(C)c(c(n2)C)C)c1cccs1
STK834222
Synonyms: N'-(benzo[cd]indol-2-yl)-4-methoxybenzohydrazide
Smiles: COc1ccc(cc1)C(=O)NNC1=Nc2c3c1cccc3ccc2
STK834224
Synonyms: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(S)nc2c1c(=O)[nH]c(=O)n2C)COc1ccc(cc1)Cl
STK834225
Synonyms: 8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(SC/C=C(/Cl)\C)nc2c1c(=O)[nH]c(=O)n2C
STK834226
Synonyms: butyl2-{[2-(dimethylamino)-2-oxoethyl]sulfanyl}-1H-benzimidazole-1-carboxylate
Smiles: CCCCOC(=O)n1c(SCC(=O)N(C)C)nc2c1cccc2
STK834228
Synonyms: (5E)-1-(4-fluorophenyl)-5-(1H-pyrrol-2-ylmethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Fc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2ccc[nH]2)/C1=O
STK834229
Synonyms: 4-chloro-N-{2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}benzamide
Smiles: N#Cc1c(sc2c1CCCCC2)NC(C(F)(F)F)(C(F)(F)F)NC(=O)c1ccc(cc1)Cl
STK834230
Synonyms: 1-{(E)-[(2-hydroxyphenyl)imino]methyl}-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-ol
Smiles: Oc1ccc2c(c1/C=N/c1ccccc1O)c1CCCCc1o2
STK834232
Synonyms: 2-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
Smiles: Clc1ccccc1c1nc(Nc2cccc(c2)C(F)(F)F)c2c(n1)cccc2
STK834233
Synonyms: 8-[(2-chloroethyl)sulfanyl]-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: ClCCSc1nc2c(n1CCCc1ccccc1)c(=O)[nH]c(=O)n2C
STK834234
Synonyms: N'-[(E)-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methylidene]-4-methylbenzenesulfonohydrazide
Smiles: Cc1ccc(cc1)S(=O)(=O)N/N=C/c1c(C)n(n(c1=O)c1ccccc1)C
STK834236
Synonyms: 8-(benzylamino)-3-methyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CCn1c(NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C)C
STK834237
Synonyms: N-methyl-N'-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3-thiazol-2-yl]ethanediamide
Smiles: CNC(=O)C(=O)Nc1scc(n1)C12CC3CC(C2)CC(C1)C3
STK834239
Synonyms: 1-ethyl-6-fluoro-7-(morpholin-4-yl)-4-oxo-1,4-dihydroquinoline-3-carbohydrazide
Smiles: CCn1cc(C(=O)NN)c(=O)c2c1cc(N1CCOCC1)c(c2)F
STK834240
Synonyms: 7-(3-fluorophenyl)-6H,7H,8H-pyrano[3,2-c:5,6-c']dichromene-6,8-dione
Smiles: Fc1cccc(c1)C1c2c(=O)oc3c(c2Oc2c1c(=O)oc1c2cccc1)cccc3
STK834241
Synonyms: 2-(4-chlorophenyl)-9-(prop-2-en-1-yl)-9H-imidazo[1,2-a]benzimidazole
Smiles: C=CCn1c2nc(cn2c2c1cccc2)c1ccc(cc1)Cl
STK834244
Synonyms: 4-(1H-imidazol-4-yl)-1-oxaspiro[4.5]decan-2-one
Smiles: O=C1CC(C2(O1)CCCCC2)c1c[nH]cn1
STK834245
Synonyms: 3-methyl-8-(methylsulfanyl)-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCn1c(SC)nc2c1c(=O)[nH]c(=O)n2C
STK834248
Synonyms: ethyl(2E)-5-[4-(acetyloxy)phenyl]-2-(2-fluorobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)/c(=C\c1ccccc1F)/s2
STK834250
Synonyms: 5-methoxy-4-nitro-7-(piperidin-1-yl)-2,1,3-benzoxadiazole
Smiles: COc1cc(N2CCCCC2)c2c(c1[N+](=O)[O-])non2
STK834252
Synonyms: 7-hexyl-8-hydrazinyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCn1c(NN)nc2c1c(=O)[nH]c(=O)n2C
STK834254
Synonyms: 3-methyl-7-(3-methylbutyl)-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCSc1nc2c(n1CCC(C)C)c(=O)[nH]c(=O)n2C
STK834255
Synonyms: 3-methyl-8-[(4-methylbenzyl)amino]-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(NCc2ccc(cc2)C)nc2c1c(=O)[nH]c(=O)n2C
STK834256
Synonyms: 2-(4-methoxyphenyl)-1-[3-(morpholin-4-yl)propyl]-1H-imidazo[1,2-a]benzimidazole
Smiles: COc1ccc(cc1)c1cn2c(n1CCCN1CCOCC1)nc1c2cccc1
STK834257
Synonyms: 5,5'-oxybis[2-(6-methylpyridin-2-yl)-1H-isoindole-1,3(2H)-dione]
Smiles: Cc1cccc(n1)N1C(=O)c2c(C1=O)cc(cc2)Oc1ccc2c(c1)C(=O)N(C2=O)c1cccc(n1)C
STK834258
Synonyms: 3-amino-2-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: Nn1c(nc2c(c1=O)C1(CCCC1)Cc1c2cccc1)c1ccccc1
STK834260
Synonyms: 1-methyl-9-(4-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: Cc1ccc(cc1)CN1CCCn2c1nc1c2c(=O)[nH]c(=O)n1C
STK834261
Synonyms: 3-(methylamino)-5-(phenylamino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Smiles: CNc1cc(Nc2ccccc2)c2c3c1noc3c1c(C2=O)cccc1
STK834263
Synonyms: ethyl2-(4-nitro-2,1,3-benzoxadiazol-5-yl)hydrazinecarboxylate
Smiles: [O-][N+](=O)c1c(NNC(=O)OCC)ccc2c1non2
STK834266
Synonyms: 3-(4-methylphenoxy)-5-oxo-5H-anthra[1,9-cd][1,2]oxazol-6-ylbenzoate
Smiles: Cc1ccc(cc1)OC1=CC(=O)c2c3c1noc3c1c(c2OC(=O)c2ccccc2)cccc1
STK834269
Synonyms: N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-4,6-diphenylpyrimidine-2-carbohydrazide
Smiles: COc1cccc(c1O)/C=N/NC(=O)c1nc(cc(n1)c1ccccc1)c1ccccc1
STK834270
Synonyms: (5E)-1-(2-fluorophenyl)-5-(1H-pyrrol-2-ylmethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)N(C(=O)/C/1=C/c1[nH]ccc1)c1ccccc1F
STK834271
Synonyms: 7-(benzylamino)-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: O=c1c2ccccc2c(=O)c2c1c1[nH]c3ccccc3oc1cc2NCc1ccccc1
STK834272
Synonyms: 5-nitrospiro[benzimidazole-2,1'-cyclohexan]-4-amine1,3-dioxide
Smiles: [O-][N+](=O)c1ccc2=[N+](C3([N+](=c2c1N)[O-])CCCCC3)[O-]
STK834273
Synonyms: 4-(1,3-dimethyl-2,3-dihydro-1H-benzimidazol-2-yl)-2-methoxyphenol
Smiles: COc1cc(ccc1O)C1N(C)c2c(N1C)cccc2
STK834274
Synonyms: N-[(1Z)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]-3,4-dimethylaniline
Smiles: Cc1ccc(cc1C)/N=c/1\ssc2c1c1ccccc1NC2(C)C
STK834275
Synonyms: (5Z)-5-(3,4-dihydroxybenzylidene)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)N(C(=O)/C/1=C\c1ccc(c(c1)O)O)c1ccccc1
STK834276
Synonyms: ethyl3-amino-1-(pyridin-4-yl)-1H-benzo[f]chromene-2-carboxylate
Smiles: CCOC(=O)C1=C(N)Oc2c(C1c1ccncc1)c1ccccc1cc2
STK834277
Synonyms: 2-[(2,6-dimethylpyridin-4-yl)methyl]-1H-isoindole-1,3(2H)-dione
Smiles: O=C1N(Cc2cc(C)nc(c2)C)C(=O)c2c1cccc2
STK834278
Synonyms: diethyl2-oxo-1-oxaspiro[4.4]nonane-3,4-dicarboxylate
Smiles: CCOC(=O)C1C(=O)OC2(C1C(=O)OCC)CCCC2
STK834279
Synonyms: ethyl{[3-methyl-7-(2-methylprop-2-en-1-yl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc2c(n1CC(=C)C)c(=O)[nH]c(=O)n2C
STK834280
Synonyms: (4-bromophenyl)(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone
Smiles: CCOc1ccc2c(c1)c1c(=S)ssc1C(N2C(=O)c1ccc(cc1)Br)(C)C
STK834282
Synonyms: 1-ethyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)-1,2-dihydroquinoline-3-carboxamide
Smiles: CCn1c(=O)c(C(=O)Nc2nccs2)c(c2c1cccc2)O
STK834283
Synonyms: ethyl(2E)-2-(2-fluorobenzylidene)-7-methyl-5-(3-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1cccc(c1)[N+](=O)[O-])c(=O)/c(=C\c1ccccc1F)/s2
STK834288
Synonyms: 3-(1,1-dioxidotetrahydrothiophen-3-yl)-3a-methyltetrahydrothieno[3,4-d][1,3]thiazole-2(3H)-thione5,5-dioxide
Smiles: S=C1SC2C(N1C1CCS(=O)(=O)C1)(C)CS(=O)(=O)C2
STK834290
Synonyms: 1-(3,6-dichloro-9H-carbazol-9-yl)-3-[(3-methylphenyl)amino]propan-2-ol
Smiles: OC(Cn1c2ccc(cc2c2c1ccc(c2)Cl)Cl)CNc1cccc(c1)C
STK834296
Synonyms: methyl4-{(Z)-[(1-methyl-2-oxocyclohexyl)(oxido)-lambda~5~-azanylidene]methyl}benzoate
Smiles: COC(=O)c1ccc(cc1)/C=[N+](/C1(C)CCCCC1=O)\[O-]
STK834297
Synonyms: 2-(4-methoxyphenyl)-9-(prop-2-en-1-yl)-9H-imidazo[1,2-a]benzimidazole
Smiles: C=CCn1c2nc(cn2c2c1cccc2)c1ccc(cc1)OC
STK834298
Synonyms: N-[4-({(E)-2-cyano-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]ethenyl}amino)phenyl]acetamide
Smiles: N#C/C(=C\Nc1ccc(cc1)NC(=O)C)/c1scc(n1)c1cc2ccccc2oc1=O
STK834300
Synonyms: 8-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-3-methyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1ccc(cc1)/C=N/Nc1nc2c(n1CCC(C)C)c(=O)[nH]c(=O)n2C
STK834301
Synonyms: 8-(benzylsulfanyl)-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)[nH]c(=O)c2c1nc(n2CCCc1ccccc1)SCc1ccccc1
STK834302
Synonyms: 7-(azepan-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carbohydrazide
Smiles: CCn1cc(C(=O)NN)c(=O)c2c1cc(N1CCCCCC1)c(c2)F
STK834305
Synonyms: (2E)-N-(4-bromophenyl)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-2-(hydroxyimino)ethanamide
Smiles: O/N=C(\C1=NC(C)(C)Cc2c1cccc2)/C(=O)Nc1ccc(cc1)Br
STK834307
Synonyms: 2-[(Z)-(4-bromobenzylidene)(oxido)-lambda~5~-azanyl]-2-methylcyclohexanone
Smiles: Brc1ccc(cc1)/C=[N+](/C1(C)CCCCC1=O)\[O-]
STK834308
Synonyms: 7-(azepan-1-yl)-N-(3,4-dimethylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Smiles: [O-][N+](=O)c1c(Nc2ccc(c(c2)C)C)cc(c2c1non2)N1CCCCCC1
STK834309
Synonyms: 2-(3-benzyl-6-oxo-1,4,5,6-tetrahydro-1,2,4-triazin-5-yl)-N'-(4-methylcyclohexylidene)acetohydrazide(non-preferredname)
Smiles: CC1CC/C(=N/NC(=O)CC2NC(=NNC2=O)Cc2ccccc2)/CC1
STK834310
Synonyms: 8,8-dimethyl-5-(4-nitrophenyl)-8,9-dihydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
Smiles: O=c1[nH]c(=O)c2c([nH]1)nc1c(c2c2ccc(cc2)[N+](=O)[O-])C(=O)CC(C1)(C)C
STK834311
Synonyms: 3-acetyl-6-chloro-1,3-benzoxazol-2(3H)-one
Smiles: Clc1ccc2c(c1)oc(=O)n2C(=O)C
STK834312
Synonyms: 1-methyl-9-phenyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: O=c1[nH]c(=O)n(c2c1n1CCCN(c1n2)c1ccccc1)C
STK834313
Synonyms: 2-(2-chlorophenyl)-4-{(2E)-2-[1-(pyridin-3-yl)ethylidene]hydrazinyl}quinazoline
Smiles: C/C(=N\Nc1nc(nc2c1cccc2)c1ccccc1Cl)/c1cccnc1
STK834314
Synonyms: 3-methyl-7-pentyl-8-[(2Z)-2-(1-phenylethylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCn1c(N/N=C(\c2ccccc2)/C)nc2c1c(=O)[nH]c(=O)n2C
STK834318
Synonyms: 2-chloroethyl(2Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate
Smiles: ClCCOC(=O)/C(=C\c1ccc(cc1)OC)/C#N
STK834320
Synonyms: 3-chloro-N-[(1Z)-8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]aniline
Smiles: COc1ccc2c(c1)c1/c(=N/c3cccc(c3)Cl)/ssc1C(N2)(C)C
STK834324
Synonyms: 1-(3,4-dihydro-1H-isochromen-1-yl)-N-[(E)-(3-nitrophenyl)methylidene]methanamine
Smiles: [O-][N+](=O)c1cccc(c1)/C=N/CC1OCCc2c1cccc2
STK834325
Synonyms: 7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylbenzoate
Smiles: OC(Cn1c(OC(=O)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C)COc1ccc(cc1)[N+](=O)[O-]
STK834326
Synonyms: (2Z)-8,9-dimethoxy-5,5-dimethyl-2-(2-phenylhydrazinylidene)-5,6-dihydropyrrolo[2,1-a]isoquinolin-3(2H)-one
Smiles: COc1cc2c(cc1OC)CC(N1C2=C/C(=N/Nc2ccccc2)/C1=O)(C)C
STK834327
Synonyms: N-hexyl-N'-(4-phenyl-1,3-thiazol-2-yl)ethanediamide
Smiles: CCCCCCNC(=O)C(=O)Nc1scc(n1)c1ccccc1
STK834328
Synonyms: ethyl4-{[(2Z)-2-cyano-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)acetyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)/C(=C/1\NC(C)(C)Cc2c1cccc2)/C#N
STK834329
Synonyms: 7-benzyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=C(c1ccccc1)CSc1nc2c(n1Cc1ccccc1)c(=O)[nH]c(=O)n2C
STK834330
Synonyms: 8-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCn1c(N/N=C/c2ccc(cc2)OC)nc2c1c(=O)[nH]c(=O)n2C
STK834331
Synonyms: 1-amino-2-(piperidin-1-ylcarbonyl)anthracene-9,10-dione
Smiles: O=C(c1ccc2c(c1N)C(=O)c1c(C2=O)cccc1)N1CCCCC1
STK834332
Synonyms: 2,2-dimethyltetrahydro-2H-thiopyran-4-carbothioamide
Smiles: NC(=S)C1CCSC(C1)(C)C
STK834333
Synonyms: N-[4-({(E)-2-cyano-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]ethenyl}amino)phenyl]acetamide
Smiles: N#C/C(=C\Nc1ccc(cc1)NC(=O)C)/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]
STK834334
Synonyms: 5,7-dimethoxy-4-nitro-2,1,3-benzoxadiazole
Smiles: COc1cc(OC)c2c(c1[N+](=O)[O-])non2
STK834336
Synonyms: 4-hydroxy-2-oxo-1-pentyl-N-(pyridin-4-yl)-1,2-dihydroquinoline-3-carboxamide
Smiles: CCCCCn1c(=O)c(C(=O)Nc2ccncc2)c(c2c1cccc2)O
STK834337
Synonyms: 2,5,7-triphenyl-7,7a,8,9,10,11-hexahydro[1,3,4]oxadiazolo[2,3-j]quinoline
Smiles: c1ccc(cc1)C1=CC(c2ccccc2)C2C3(N1N=C(O3)c1ccccc1)CCCC2
STK834338
Synonyms: ethyl[2-({[4-hydroxy-1-(2-methylpropyl)-2-oxo-1,2-dihydroquinolin-3-yl]carbonyl}amino)-1,3-thiazol-4-yl]acetate
Smiles: CCOC(=O)Cc1csc(n1)NC(=O)c1c(O)c2ccccc2n(c1=O)CC(C)C
STK834340
Synonyms: 7-tert-butyl-2-(3,5-dibromo-2-hydroxyphenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Smiles: Brc1cc(Br)c(c(c1)C1NC(=O)c2c(N1)sc1c2CCC(C1)C(C)(C)C)O
STK834341
Synonyms: 7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCCCC1)COc1ccc(cc1)[N+](=O)[O-]
STK834342
Synonyms: N-(3-chloropropyl)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: ClCCCNC(=O)c1c(=O)[nH]c2c(c1O)cccc2
STK834343
Synonyms: 8-{(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl}-3-methyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CCn1c(N/N=C(/c2ccccc2O)\C)nc2c1c(=O)[nH]c(=O)n2C)C
STK834344
Synonyms: (2Z)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3-iodophenyl)prop-2-enenitrile
Smiles: N#C/C(=C/c1cccc(c1)I)/c1scc(n1)c1ccc(cc1Cl)Cl
STK834345
Synonyms: 7-benzyl-8-[(2-hydroxypropyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CSc1nc2c(n1Cc1ccccc1)c(=O)[nH]c(=O)n2C)O
STK834346
Synonyms: (5E)-5-(4-hydroxybenzylidene)-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2ccc(cc2)O)/C1=O
STK834347
Synonyms: 2-(5-bromo-2-methyl-4-nitro-1H-imidazol-1-yl)-1-phenylethanone
Smiles: O=C(c1ccccc1)Cn1c(C)nc(c1Br)[N+](=O)[O-]
STK834348
Synonyms: N-(2-bromo-4-methylphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
Smiles: Cc1ccc(c(c1)Br)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
STK834349
Synonyms: 1-(3,6-dichloro-9H-carbazol-9-yl)-3-[(4-ethoxyphenyl)amino]propan-2-ol
Smiles: CCOc1ccc(cc1)NCC(Cn1c2ccc(cc2c2c1ccc(c2)Cl)Cl)O
STK834351
Synonyms: 2-(4-bromophenyl)-2-oxoethyl2,6-dimethylmorpholine-4-carbodithioate
Smiles: CC1OC(C)CN(C1)C(=S)SCC(=O)c1ccc(cc1)Br
STK834352
Synonyms: (3E)-3-[nitro(phenyl)methylidene]-2-benzofuran-1(3H)-one
Smiles: [O-][N+](=O)/C(=C\1/OC(=O)c2c1cccc2)/c1ccccc1
STK834358
Synonyms: 5-[(4-chlorophenyl)amino]-3-(pyrrolidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Smiles: Clc1ccc(cc1)Nc1cc(N2CCCC2)c2c3c1C(=O)c1ccccc1c3on2
STK834359
Synonyms: 8-bromo-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C
STK834360
Synonyms: 2-[(3-methyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-phenylacetamide
Smiles: CCCCCn1c(SCC(=O)Nc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C
STK834362
Synonyms: 4-(morpholin-4-yl)-1-phenylbut-2-yn-1-ylacetate
Smiles: CC(=O)OC(c1ccccc1)C#CCN1CCOCC1
STK834364
Synonyms: 1-(3,6-dichloro-9H-carbazol-9-yl)-3-(phenylamino)propan-2-ol
Smiles: OC(Cn1c2ccc(cc2c2c1ccc(c2)Cl)Cl)CNc1ccccc1
STK834365
Synonyms: 2-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-3-methylquinoxaline
Smiles: Fc1ccc(cc1)/C=N/Nc1nc2ccccc2nc1C
STK834366
Synonyms: ethyl(2E)-5-[4-(acetyloxy)phenyl]-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)/c(=C\c1ccc3c(c1)OCO3)/s2
STK834367
Synonyms: 1-[(4-chlorophenyl)amino]-3-(3,6-dichloro-9H-carbazol-9-yl)propan-2-ol
Smiles: Clc1ccc(cc1)NCC(Cn1c2ccc(cc2c2c1ccc(c2)Cl)Cl)O
STK834368
Synonyms: 2-(furan-2-yl)-4-{(E)-[(2-hydroxyphenyl)imino]methyl}-1,3-oxazol-5-ol
Smiles: Oc1oc(nc1/C=N/c1ccccc1O)c1ccco1
STK834369
Synonyms: N-(1,3-benzodioxol-5-yl)-7-nitro-2,1,3-benzoxadiazol-4-amine
Smiles: [O-][N+](=O)c1ccc(c2c1non2)Nc1ccc2c(c1)OCO2
STK834370
Synonyms: 8-(hexylsulfanyl)-3-methyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCSc1nc2c(n1Cc1cccc(c1)C)c(=O)[nH]c(=O)n2C
STK834371
Synonyms: diethyl{5-[(3-methylphenyl)amino]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl}propanedioate
Smiles: CCOC(=O)C(c1cc(Nc2cccc(c2)C)c2c3c1noc3c1c(C2=O)cccc1)C(=O)OCC
STK834376
Synonyms: ethyl4-({4-[(diphenylacetyl)amino]butanoyl}amino)butanoate
Smiles: CCOC(=O)CCCNC(=O)CCCNC(=O)C(c1ccccc1)c1ccccc1
STK834377
Synonyms: 4-hydroxy-1-methyl-N'-[(3-methylphenyl)carbonyl]-2-oxo-1,2-dihydroquinoline-3-carbohydrazide
Smiles: Cc1cccc(c1)C(=O)NNC(=O)c1c(O)c2ccccc2n(c1=O)C
STK834378
Synonyms: N-(4-phenyl-1,3-thiazol-2-yl)-N'-(prop-2-en-1-yl)ethanediamide
Smiles: C=CCNC(=O)C(=O)Nc1scc(n1)c1ccccc1
STK834379
Synonyms: 2,2'-[(4,5-dimethoxy-2-nitrophenyl)methanediyl]bis(5-methylfuran)
Smiles: COc1cc(C(c2ccc(o2)C)c2ccc(o2)C)c(cc1OC)[N+](=O)[O-]
STK834380
Synonyms: ethyl4-[(N-{[4-(pentyloxy)phenyl]carbonyl}-beta-alanyl)amino]butanoate
Smiles: CCCCCOc1ccc(cc1)C(=O)NCCC(=O)NCCCC(=O)OCC
STK834382
Synonyms: (2Z)-3-(naphthalen-1-yl)-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/c1cccc2c1cccc2)/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]
STK834383
Synonyms: N-(4,7-dimethyl-2-oxo-2H-chromen-6-yl)-2-(3-methylphenoxy)acetamide
Smiles: O=C(Nc1cc2c(C)cc(=O)oc2cc1C)COc1cccc(c1)C
STK834384
Synonyms: (2Z)-3-[(2,4-dimethoxyphenyl)amino]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1OC)OC)/c1scc(n1)c1ccccc1
STK834385
Synonyms: (2E)-2-({[(3,4-dichlorophenyl)carbamoyl]oxy}imino)-N-(4-methylphenyl)ethanamide
Smiles: O=C(Nc1ccc(c(c1)Cl)Cl)O/N=C/C(=O)Nc1ccc(cc1)C
STK834386
Synonyms: 1-methyl-4-nitro-1H-imidazol-5-amine
Smiles: [O-][N+](=O)c1ncn(c1N)C
STK834388
Synonyms: (5E)-1-(4-ethoxyphenyl)-5-(4-fluorobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCOc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2ccc(cc2)F)/C1=O
STK834390
Synonyms: 2-(2-chlorophenyl)-N-(4-chlorophenyl)quinazolin-4-amine
Smiles: Clc1ccc(cc1)Nc1nc(nc2c1cccc2)c1ccccc1Cl
STK834391
Synonyms: 8-{(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl}-3-methyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(=C)Cn1c(N/N=C(/c2ccccc2O)\C)nc2c1c(=O)[nH]c(=O)n2C
STK834393
Synonyms: ethyl(4E)-2,2-diethyl-5-(4-fluorophenyl)-3-oxopent-4-enoate
Smiles: CCC(C(=O)/C=C/c1ccc(cc1)F)(C(=O)OCC)CC
STK834394
Synonyms: methyl(2Z)-[(2Z)-4-oxo-2-[2-(phenylcarbonyl)hydrazinylidene]-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene]ethanoate
Smiles: C=CCN1/C(=N/NC(=O)c2ccccc2)/S/C(=C\C(=O)OC)/C1=O
STK834395
Synonyms: 2-[8-bromo-3-methyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-1-yl]acetamide
Smiles: C=CCn1c(Br)nc2c1c(=O)n(CC(=O)N)c(=O)n2C
STK834396
Synonyms: (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)prop-2-enenitrile
Smiles: N#C/C(=C/c1ccccc1OC)/c1scc(n1)c1ccc2c(c1)OCO2
STK834397
Synonyms: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(pentylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCSc1nc2c(n1CC(COc1ccccc1)O)c(=O)[nH]c(=O)n2C
STK834398
Synonyms: 3-(morpholin-4-ylcarbonyl)phenyl4-bromobenzoate
Smiles: Brc1ccc(cc1)C(=O)Oc1cccc(c1)C(=O)N1CCOCC1
STK834399
Synonyms: 2-(4-aminophenyl)-6-bromoquinoline-4-carbohydrazide
Smiles: NNC(=O)c1cc(nc2c1cc(Br)cc2)c1ccc(cc1)N
STK834407
Synonyms: ethyl(2E)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-5-[(E)-2-phenylethenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1/C=C/c1ccccc1)c(=O)/c(=C\c1cccc(c1)[N+](=O)[O-])/s2
STK834408
Synonyms: 2-({7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
Smiles: OC(Cn1c(SCC(=O)N)nc2c1c(=O)[nH]c(=O)n2C)COc1ccc(cc1)Cl
STK834409
Synonyms: 7-(3-bromobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Brc1cccc(c1)Cn1c(nc2c1c(=O)[nH]c(=O)n2C)n1nc(cc1C)C
STK834412
Synonyms: 1,1'-{6-hydroxy-6-methyl-4-[(4-methylphenyl)amino]-2-phenylcyclohex-3-ene-1,3-diyl}diethanone
Smiles: CC(=O)C1C(c2ccccc2)C(=C(CC1(C)O)Nc1ccc(cc1)C)C(=O)C
STK834413
Synonyms: (5E)-1-(4-iodophenyl)-5-(1H-pyrrol-2-ylmethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Ic1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2ccc[nH]2)/C1=O
STK834417
Synonyms: 2-[bis(5-methylfuran-2-yl)methyl]-4-iodophenol
Smiles: Ic1ccc(c(c1)C(c1ccc(o1)C)c1ccc(o1)C)O
STK834418
Synonyms: 5-nitro-N-{4-[(E)-phenyldiazenyl]phenyl}pyrimidine-4,6-diamine
Smiles: [O-][N+](=O)c1c(ncnc1N)Nc1ccc(cc1)/N=N/c1ccccc1
STK834420
Synonyms: 1-(9H-carbazol-9-yl)-3-[(4-ethoxyphenyl)amino]propan-2-ol
Smiles: CCOc1ccc(cc1)NCC(Cn1c2ccccc2c2c1cccc2)O
STK834423
Synonyms: 3-methyl-8-[(3-methylbutyl)sulfanyl]-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CCSc1nc2c(n1CCCc1ccccc1)c(=O)[nH]c(=O)n2C)C
STK834424
Synonyms: ethyl[(1,7-dibenzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)Cc1ccccc1
STK834425
Synonyms: (2E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-{[3-(trifluoromethyl)phenyl]amino}prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)C(F)(F)F)/c1scc(n1)c1ccc(c(c1)OC)OC
STK834428
Synonyms: 1-amino-4-[(3-methylphenyl)amino]-2-(pyrrolidin-1-yl)anthracene-9,10-dione
Smiles: Cc1cccc(c1)Nc1cc(N2CCCC2)c(c2c1C(=O)c1ccccc1C2=O)N
STK834429
Synonyms: N-[(1E)-3-(benzylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Smiles: O=C(/C(=C\c1cccc(c1)[N+](=O)[O-])/NC(=O)c1ccccc1)NCc1ccccc1
STK834430
Synonyms: 5-cyano-2-methyl-6-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)c2cccs2)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1)C
STK834434
Synonyms: 4-[2-(cyclohexylidenemethyl)-5-nitro-1-benzofuran-3-yl]morpholine
Smiles: [O-][N+](=O)c1ccc2c(c1)c(N1CCOCC1)c(o2)C=C1CCCCC1
STK834436
Synonyms: 8-(diethylamino)-3-methyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN(c1nc2c(n1CC(=C)C)c(=O)[nH]c(=O)n2C)CC
STK834437
Synonyms: dimethyl{(4-bromophenyl)[(4-methylphenyl)amino]methyl}phosphonate
Smiles: COP(=O)(C(c1ccc(cc1)Br)Nc1ccc(cc1)C)OC
STK834438
Synonyms: 8-[(2-hydroxyethyl)sulfanyl]-3-methyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCSc1nc2c(n1CCC(C)C)c(=O)[nH]c(=O)n2C
STK834439
Synonyms: [(3-methyl-7'-nitro-5'H-spiro[cyclohepta[d][1,3]thiazol-3-ium-2,8'-quinolin]-5'-ylidene)(oxido)-lambda~5~-azanyl]oxidanide
Smiles: [O-][N+](=C1C=C([N+](=O)[O-])C2(c3c1cccn3)SC1=CC=CC=CC1=[N+]2C)[O-]
STK834442
Synonyms: 2-[(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
Smiles: NC(=O)CSc1nc2c(n1C)c(=O)[nH]c(=O)n2C
STK834443
Synonyms: ethyl4-{(2Z)-3-(3,4-dimethoxyphenyl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)C(=O)/C(=C/c1ccc(c(c1)OC)OC)/NC(=O)c1ccccc1
STK834446
Synonyms: (4E)-4-(4-hydroxy-3-methoxybenzylidene)-5-(morpholin-4-yl)-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1cc(ccc1O)/C=C/1\C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])N1CCOCC1
STK834448
Synonyms: 5-[(3-methylphenyl)amino]-3-(pyrrolidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Smiles: Cc1cccc(c1)Nc1cc(N2CCCC2)c2c3c1C(=O)c1ccccc1c3on2
STK834449
Synonyms: N-(2-benzyl-4-oxoquinazolin-3(4H)-yl)-1-ethyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: CCn1c(=O)c(C(=O)Nn2c(Cc3ccccc3)nc3c(c2=O)cccc3)c(c2c1cccc2)O
STK834450
Synonyms: 4-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzamide
Smiles: [O-][N+](=O)c1c(ccc2c1non2)Nc1ccc(cc1)C(=O)N
STK834451
Synonyms: 5-(cyclohexylamino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Smiles: O=C1c2ccccc2c2c3c1c(ccc3no2)NC1CCCCC1
STK834453
Synonyms: 8-bromo-7-(3-bromobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Brc1cccc(c1)Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C
STK834454
Synonyms: 5-(2-nitrophenyl)-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one
Smiles: O=C1CCCC2=C1c1c(NC2c2ccccc2[N+](=O)[O-])ccc2c1cccc2
STK834456
Synonyms: 3-bromo-4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,2,5-oxadiazole2-oxide
Smiles: Brc1[n+]([O-])onc1C12CC3CC(C2)CC(C1)C3
STK834457
Synonyms: propyl4-({oxo[(tetrahydrofuran-2-ylmethyl)amino]acetyl}amino)benzoate
Smiles: CCCOC(=O)c1ccc(cc1)NC(=O)C(=O)NCC1CCCO1
STK834461
Synonyms: 8-(butylsulfanyl)-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCSc1nc2c(n1CCCc1ccccc1)c(=O)[nH]c(=O)n2C
STK834464
Synonyms: 4-hydroxy-N-methyl-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: CNC(=O)c1c(=O)[nH]c2c(c1O)cccc2
STK834465
Synonyms: ethyl(2E)-5-[4-(acetyloxy)phenyl]-2-(4-chlorobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)/c(=C\c1ccc(cc1)Cl)/s2
STK834468
Synonyms: 3-(2-iodophenyl)-3,4-dihydro-2H-benzo[f]chromeno[3,4-c]quinolin-2-one
Smiles: Ic1ccccc1C1Nc2ccc3c(c2c2c1c(=O)oc1c2cccc1)cccc3
STK834471
Synonyms: 8-(benzylsulfanyl)-3-methyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CCn1c(SCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C)C
STK834472
Synonyms: 4,6-di-tert-butyl-2-(4-nitrophenyl)-1,3-benzoxazol-7-ol
Smiles: [O-][N+](=O)c1ccc(cc1)c1nc2c(o1)c(O)c(cc2C(C)(C)C)C(C)(C)C
STK834473
Synonyms: 2,6-di-tert-butyl-4-(2-methyl-1H-benzimidazol-1-yl)phenol
Smiles: Oc1c(cc(cc1C(C)(C)C)n1c(C)nc2c1cccc2)C(C)(C)C
STK834475
Synonyms: 3-methyl-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-1,2,4-triazole
Smiles: Cc1ncn(n1)C12CC3CC(C2)CC(C1)C3
STK834476
Synonyms: 1-ethyl-6-fluoro-7-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
Smiles: CCn1cc(C(=O)Nc2scc(n2)C)c(=O)c2c1cc(N1CCN(CC1)C(=O)c1ccco1)c(c2)F
STK834477
Synonyms: N-(2-chlorophenyl)-1-ethyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: CCn1c(=O)c(C(=O)Nc2ccccc2Cl)c(c2c1cccc2)O
STK834478
Synonyms: {1-[(1Z)-1-(2,4-diethoxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]pyridin-2(1H)-ylidene}propanedinitrile
Smiles: CCOc1cc(OCC)ccc1/C=C(\n1ccccc1=C(C#N)C#N)/C(=O)c1ccccc1
STK834479
Synonyms: 5-[(3-methylphenyl)amino]-3-(piperidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Smiles: Cc1cccc(c1)Nc1cc(N2CCCCC2)c2c3c1C(=O)c1ccccc1c3on2
STK834483
Synonyms: 2-(4-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-1H-imidazo[1,2-a]benzimidazole
Smiles: Cc1ccc(cc1)c1cn2c(n1CCN1CCOCC1)nc1c2cccc1
STK834484
Synonyms: ethyl(2E)-5-[4-(acetyloxy)phenyl]-2-(4-methoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)/c(=C\c1ccc(cc1)OC)/s2
STK834486
Synonyms: (2Z)-3-[(2,4-dimethoxyphenyl)amino]-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1OC)OC)/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]
STK834487
Synonyms: 2,2,3-trimethyl-6-(morpholin-4-yl)hex-4-yn-3-ol
Smiles: CC(C(C)(C)C)(C#CCN1CCOCC1)O
STK834488
Synonyms: 8-(butylsulfanyl)-7-(2-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCSc1nc2c(n1Cc1ccccc1Cl)c(=O)[nH]c(=O)n2C
STK834489
Synonyms: 7-(4-bromophenyl)-6H,7H,8H-pyrano[3,2-c:5,6-c']dichromene-6,8-dione
Smiles: Brc1ccc(cc1)C1c2c(=O)oc3c(c2Oc2c1c(=O)oc1c2cccc1)cccc3
STK834490
Synonyms: N-(4,7-dimethyl-2-oxo-2H-chromen-6-yl)-2-(2-methylphenoxy)acetamide
Smiles: O=C(Nc1cc2c(C)cc(=O)oc2cc1C)COc1ccccc1C
STK834491
Synonyms: 2-(morpholin-4-ylcarbonyl)phenyl2-methylbenzoate
Smiles: O=C(c1ccccc1OC(=O)c1ccccc1C)N1CCOCC1
STK834492
Synonyms: 4,4'-[(4-fluorophenyl)methanediyl]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
Smiles: Fc1ccc(cc1)C(c1c(C)n(n(c1=O)c1ccccc1)C)c1c(C)n(n(c1=O)c1ccccc1)C
STK834494
Synonyms: 3,5-bis[(4-methylphenyl)sulfanyl]-6H-anthra[1,9-cd][1,2]oxazol-6-one
Smiles: Cc1ccc(cc1)Sc1cc(Sc2ccc(cc2)C)c2c3c1noc3c1c(C2=O)cccc1
STK834495
Synonyms: 2-(biphenyl-4-yl)-9-(prop-2-en-1-yl)-9H-imidazo[1,2-a]benzimidazole
Smiles: C=CCn1c2ccccc2n2c1nc(c2)c1ccc(cc1)c1ccccc1
STK834496
Synonyms: 2-amino-4-{3-[(4-chlorobenzyl)oxy]-4-methoxyphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Smiles: N#CC1=C(N)OC2=C(C1c1ccc(c(c1)OCc1ccc(cc1)Cl)OC)C(=O)CCC2
STK834497
Synonyms: 5-(2-methoxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccccc1C=C1C(=O)N(C)C(=O)N(C1=O)C
STK834498
Synonyms: 8-bromo-7-[(2E)-3-chlorobut-2-en-1-yl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: C/C(=C\Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C)/Cl
STK834500
Synonyms: 2-amino-4-(3,4-dimethoxyphenyl)-4H-[1]benzothieno[3,2-b]pyran-3-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(c(c1)OC)OC)sc1c2cccc1
STK834501
Synonyms: N-(3,4-dimethylphenyl)-7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Smiles: CC1CCCN(C1)c1cc(Nc2ccc(c(c2)C)C)c(c2c1non2)[N+](=O)[O-]
STK834504
Synonyms: ethyl[2-({[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydroquinolin-3-yl]carbonyl}amino)-1,3-thiazol-4-yl]acetate
Smiles: CCOC(=O)Cc1csc(n1)NC(=O)c1c(O)c2ccccc2n(c1=O)CCC(C)C
STK834505
Synonyms: 4-hydroxy-2-oxo-N-(pyridin-2-yl)-1,2-dihydroquinoline-3-carboxamide
Smiles: O=C(c1c(=O)[nH]c2c(c1O)cccc2)Nc1ccccn1
STK834507
Synonyms: N,N'-(1R,2S)-cyclohexane-1,2-diylbis{N-[(Z)-phenylmethylidene]amineoxide}
Smiles: [O-]/[N+](=C\c1ccccc1)/[C@@H]1CCCC[C@@H]1/[N+](=C/c1ccccc1)/[O-]
STK834508
Synonyms: 3,6-diamino-N-(4-bromophenyl)-5-cyano-4-ethylthieno[2,3-b]pyridine-2-carboxamide
Smiles: CCc1c(C#N)c(N)nc2c1c(N)c(s2)C(=O)Nc1ccc(cc1)Br
STK834509
Synonyms: methyl{[3-methyl-7-(2-methylprop-2-en-1-yl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate
Smiles: COC(=O)CSc1nc2c(n1CC(=C)C)c(=O)[nH]c(=O)n2C
STK834510
Synonyms: 2,6-di-tert-butyl-4-[(3,4-dimethoxyphenyl)imino]cyclohexa-2,5-dien-1-one
Smiles: COc1cc(ccc1OC)/N=C/1\C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C
STK834511
Synonyms: N'-[(3Z)-5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-2-(quinolin-8-ylsulfanyl)acetohydrazide
Smiles: O=C(CSc1cccc2c1nccc2)N/N=C/1\C(=O)Nc2c1cc(Br)cc2
STK834512
Synonyms: 1-[(2Z)-1-benzylpyridin-2(1H)-ylidene]-3-prop-2-en-1-ylthiourea
Smiles: C=CCNC(=S)/N=c\1/ccccn1Cc1ccccc1
STK834513
Synonyms: N-(2-butyl-4-oxoquinazolin-3(4H)-yl)-1-ethyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: CCCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)c2ccccc2n(c1=O)CC
STK834515
Synonyms: 3-{4-[4-(phenylsulfanyl)phenyl]-1,3-thiazol-2-yl}-2H-chromen-2-one
Smiles: O=c1oc2ccccc2cc1c1scc(n1)c1ccc(cc1)Sc1ccccc1
STK834517
Synonyms: [4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetonitrile
Smiles: N#CCc1scc(n1)c1ccc(cc1)[N+](=O)[O-]
STK834519
Synonyms: 8-[(2E)-2-benzylidenehydrazinyl]-3-methyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(N/N=C/c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C
STK834520
Synonyms: 2,4-diphenyl-2,3-dihydro-1,5-benzothiazepine
Smiles: c1ccc(cc1)C1CC(=Nc2c(S1)cccc2)c1ccccc1
STK834523
Synonyms: 2-phenyltetrahydro-1H-isoindole-1,3,5(2H,4H)-trione
Smiles: O=C1CCC2C(C1)C(=O)N(C2=O)c1ccccc1
STK834524
Synonyms: N-[(1Z)-1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]benzamide
Smiles: CN1CCN(CC1)C(=O)/C(=C/c1ccc(cc1)F)/NC(=O)c1ccccc1
STK834525
Synonyms: 2-(2H-benzotriazol-2-yl)-4-methylphenyldiphenylacetate
Smiles: O=C(C(c1ccccc1)c1ccccc1)Oc1ccc(cc1n1nc2c(n1)cccc2)C
STK834527
Synonyms: 1,5-diphenyl-3-(2,4,5-trimethylphenyl)-4,5-dihydro-1H-pyrazole
Smiles: Cc1cc(C)c(cc1C1=NN(C(C1)c1ccccc1)c1ccccc1)C
STK834529
Synonyms: 5a,6,7,8,9,9a-hexahydro-11H-indeno[1,2-b]quinoxalin-11-one5,10-dioxide
Smiles: [O-][N+]1=C2C(=[N+](C3C1CCCC3)[O-])C(=O)c1c2cccc1
STK834532
Synonyms: 5-bromo-2-[(2,4,6-trichlorophenyl)amino]-1H-benzo[f]isoindole-1,3(2H)-dione
Smiles: Clc1cc(Cl)c(c(c1)Cl)NN1C(=O)c2c(C1=O)cc1c(c2)cccc1Br
STK834533
Synonyms: 2-amino-4-(4-chlorophenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile
Smiles: N#Cc1c(N)nc(cc1c1ccc(cc1)Cl)c1ccc(o1)C
STK834535
Synonyms: N-(2-ethyl-4-oxoquinazolin-3(4H)-yl)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: CCc1nc2ccccc2c(=O)n1NC(=O)c1c(=O)[nH]c2c(c1O)cccc2
STK834538
Synonyms: N-(2-bromophenyl)-1-ethyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: CCn1c(=O)c(C(=O)Nc2ccccc2Br)c(c2c1cccc2)O
STK834539
Synonyms: 3-chloro-N-[(1Z)-8-ethoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]-4-fluoroaniline
Smiles: CCOc1ccc2c(c1)c1/c(=N/c3ccc(c(c3)Cl)F)/ssc1C(N2)(C)C
STK834540
Synonyms: 3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=C(c1ccccc1)CSc1nc2c(n1CCCc1ccccc1)c(=O)[nH]c(=O)n2C
STK834541
Synonyms: 2-{[3-methyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-phenylacetamide
Smiles: CC(CCn1c(SCC(=O)Nc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C)C
STK834542
Synonyms: 1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-methylbenzyl)-2,3-dihydro-1H-benzimidazol-1-yl]ethanol
Smiles: OC(c1ccc(c(c1)Cl)Cl)Cn1c(=N)n(c2c1cccc2)Cc1ccccc1C
STK834543
Synonyms: 4-hydroxy-2-oxo-1-propyl-N-(pyridin-2-yl)-1,2-dihydroquinoline-3-carboxamide
Smiles: CCCn1c(=O)c(C(=O)Nc2ccccn2)c(c2c1cccc2)O
STK834544
Synonyms: 1-(9H-carbazol-9-yl)-3-(naphthalen-1-ylamino)propan-2-ol
Smiles: OC(Cn1c2ccccc2c2c1cccc2)CNc1cccc2c1cccc2
STK834551
Synonyms: 1-ethyl-8-methyl-2-phenyl-5,6-dihydrodipyrrolo[1,2-a:2',1'-c]pyrazine
Smiles: CCc1c(cn2c1c1ccc(n1CC2)C)c1ccccc1
STK834552
Synonyms: 4-(4-methoxyphenyl)-2-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]sulfanyl}-6-phenylpyridine-3-carbonitrile
Smiles: COc1ccc(cc1)c1cc(nc(c1C#N)SCC(=O)c1cc2ccccc2oc1=O)c1ccccc1
STK834553
Synonyms: 4-ethyl-N-[(1Z)-4,4,6-trimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]aniline
Smiles: CCc1ccc(cc1)/N=c/1\ssc2c1c1cccc(c1NC2(C)C)C
STK834554
Synonyms: methyl{[3-cyano-4-(3-fluorophenyl)-6-phenylpyridin-2-yl]sulfanyl}acetate
Smiles: COC(=O)CSc1nc(cc(c1C#N)c1cccc(c1)F)c1ccccc1
STK834555
Synonyms: N-{4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl}-4-nitrobenzamide
Smiles: COc1ccc(nn1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)[N+](=O)[O-]
STK834556
Synonyms: 8-[(2E)-2-benzylidenehydrazinyl]-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCn1c(N/N=C/c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C
STK834557
Synonyms: 7-(4-chlorophenyl)-6H,7H,8H-pyrano[3,2-c:5,6-c']dichromene-6,8-dione
Smiles: Clc1ccc(cc1)C1c2c(=O)oc3c(c2Oc2c1c(=O)oc1c2cccc1)cccc3
STK834558
Synonyms: ethyl4-hydroxy-2-oxo-1-propyl-1,2-dihydroquinoline-3-carboxylate
Smiles: CCOC(=O)c1c(O)c2ccccc2n(c1=O)CCC
STK834559
Synonyms: 3-methyl-8-(pentylsulfanyl)-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCSc1nc2c(n1CCCc1ccccc1)c(=O)[nH]c(=O)n2C
STK834564
Synonyms: 8-(2-cyclopentylidenehydrazinyl)-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCn1c(NN=C2CCCC2)nc2c1c(=O)[nH]c(=O)n2C
STK834565
Synonyms: 2-[(Z)-(4-hydroxybenzylidene)(oxido)-lambda~5~-azanyl]-2-methylcyclohexanone
Smiles: Oc1ccc(cc1)/C=[N+](/C1(C)CCCCC1=O)\[O-]
STK834566
Synonyms: 4-(azepan-1-yl)-2-(4-chlorophenyl)quinazoline
Smiles: Clc1ccc(cc1)c1nc(N2CCCCCC2)c2c(n1)cccc2
STK834568
Synonyms: 1,1-bis(4-fluorophenyl)-N-[(4-nitrophenyl)sulfanyl]methanimine
Smiles: Fc1ccc(cc1)/C(=N/Sc1ccc(cc1)[N+](=O)[O-])/c1ccc(cc1)F
STK834569
Synonyms: N-{4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenyl}hexanamide
Smiles: CCCCCC(=O)Nc1ccc(cc1)/C=C/1\C(=O)c2c(C1=O)cccc2
STK834571
Synonyms: N-(1,3-benzodioxol-5-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Smiles: [O-][N+](=O)c1c(ccc2c1non2)Nc1ccc2c(c1)OCO2
STK834573
Synonyms: ethyl3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropanoate
Smiles: CCOC(=O)CC(=O)Nc1nnc(s1)CC
STK834574
Synonyms: 4-hydroxy-1-(3-methylbutyl)-2-oxo-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,2-dihydroquinoline-3-carboxamide
Smiles: CC(CCn1c(=O)c(C(=O)NC23CC4CC(C3)CC(C2)C4)c(c2c1cccc2)O)C
STK834577
Synonyms: 4-{[7-(diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: CCN(c1cc(Nc2c(C)n(n(c2=O)c2ccccc2)C)c(c2c1non2)[N+](=O)[O-])CC
STK834578
Synonyms: 7-(3-bromobenzyl)-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Brc1cccc(c1)Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCCCC1
STK834579
Synonyms: 3-chloro-7-(cyclohexylamino)-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: Clc1ccc2c(c1)oc1c([nH]2)c2c(=O)c3ccccc3c(=O)c2c(c1)NC1CCCCC1
STK834581
Synonyms: ethyl4-[(5Z)-5-(3-ethoxy-4-hydroxybenzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2ccc(c(c2)OCC)O)/C1=O
STK834583
Synonyms: ethyl[(3-methyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
Smiles: CCCCCn1c(SCC(=O)OCC)nc2c1c(=O)[nH]c(=O)n2C
STK834584
Synonyms: 2-amino-1-(3-chloro-4-fluorophenyl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydropyridine-3-carbonitrile
Smiles: N#CC1=C(N)N(C(=CC1(C(F)(F)F)C(F)(F)F)C)c1ccc(c(c1)Cl)F
STK834585
Synonyms: 6-amino-4-(2-butoxyphenyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: CCCCOc1ccccc1C1C(=C(N)Oc2c1c(C)n[nH]2)C#N
STK834588
Synonyms: (1E,5E)-1,5-bis(4-ethoxyphenyl)-N,N'-dihydroxypentane-1,5-diimine
Smiles: CCOc1ccc(cc1)/C(=N/O)/CCC/C(=N\O)/c1ccc(cc1)OCC
STK834589
Synonyms: 7-benzyl-3-methyl-8-[(3-methylbutyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CCSc1nc2c(n1Cc1ccccc1)c(=O)[nH]c(=O)n2C)C
STK834592
Synonyms: (2E)-N-(2-methylphenyl)-2-(2,3,3-trimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)ethanamide
Smiles: O=C(/C=C/1\c2ccccc2CC(N1C)(C)C)Nc1ccccc1C
STK834593
Synonyms: ethyl(2E)-5-(4-chlorophenyl)-2-(2-fluorobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)/c(=C\c1ccccc1F)/s2
STK834594
Synonyms: N'-[(2-fluorophenyl)carbonyl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbohydrazide
Smiles: O=C(c1ccccc1F)NNC(=O)c1c(=O)[nH]c2c(c1O)cccc2
STK834595
Synonyms: 3-[(3-bromophenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one
Smiles: COc1c(OC)ccc2c1C(=O)OC2Nc1cccc(c1)Br
STK834596
Synonyms: N-(3,4-difluorophenyl)-4-hydroxy-2-oxo-1-pentyl-1,2-dihydroquinoline-3-carboxamide
Smiles: CCCCCn1c(=O)c(C(=O)Nc2ccc(c(c2)F)F)c(c2c1cccc2)O
STK834597
Synonyms: ethyl4-({(E)-2-cyano-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)N/C=C(/c1scc(n1)c1ccc(cc1)C)\C#N
STK834599
Synonyms: (2Z)-3-[5-(4-methoxyphenyl)furan-2-yl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile
Smiles: COc1ccc(cc1)c1ccc(o1)/C=C(\C(=O)N1CCOCC1)/C#N
STK834601
Synonyms: 7-methyl-6H-[1,2,5]oxadiazolo[3,4-e]indole3-oxide
Smiles: Cc1[nH]c2c(c1)c1no[n+](c1cc2)[O-]
STK834602
Synonyms: 3-(1H-benzimidazol-2-yl)-4-hydroxy-1-propylquinolin-2(1H)-one
Smiles: CCCn1c(=O)c(c2nc3c([nH]2)cccc3)c(c2c1cccc2)O
STK834603
Synonyms: (4Z)-4-(2,6-dichlorobenzylidene)-2-phenyl-1,3-oxazol-5(4H)-one
Smiles: O=C1OC(=N/C/1=C\c1c(Cl)cccc1Cl)c1ccccc1
STK834604
Synonyms: 6,8-dichloro-3-[2-(phenylamino)-1,3-thiazol-4-yl]-2H-chromen-2-one
Smiles: Clc1cc(Cl)c2c(c1)cc(c(=O)o2)c1csc(n1)Nc1ccccc1
STK834605
Synonyms: 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone
Smiles: O=C(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)CSc1nncn1c1ccccc1
STK834608
Synonyms: ethylN-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-{[(4-fluorophenyl)carbonyl]amino}alaninate
Smiles: CCOC(=O)C(C(F)(F)F)(Nc1sc(c(c1C#N)CC)C)NC(=O)c1ccc(cc1)F
STK834609
Synonyms: N-[4-(2-acetyl-3-oxobut-1-en-1-yl)phenyl]butanamide
Smiles: CCCC(=O)Nc1ccc(cc1)C=C(C(=O)C)C(=O)C
STK834612
Synonyms: 4,5-diphenyl-2-{[(E)-thiophen-2-ylmethylidene]amino}furan-3-carbonitrile
Smiles: N#Cc1c(/N=C/c2cccs2)oc(c1c1ccccc1)c1ccccc1
STK834613
Synonyms: ethyl(2Z)-2-(2-chloro-6-fluorobenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C/c1c(F)cccc1Cl)/s2