FULL DB

Total number of items: 1633432
Total number of pages: 1634 ( 1000 items on each page )

STK546397
Synonyms: (5Z)-3-(naphthalen-2-yl)-5-[4-(octyloxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1ccc2c(c1)cccc2

STK546398
Synonyms: (2Z)-3-hydroxy-2-(1-methyl-1H-benzimidazol-2-yl)-4-[(4-methylphenyl)sulfanyl]but-2-enenitrile
Smiles: N#C/C(=C(\CSc1ccc(cc1)C)/O)/c1nc2c(n1C)cccc2

STK546405
Synonyms: (2E,5Z)-2-[(3,4-dimethylphenyl)imino]-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
Smiles: O=C1N/C(=N\c2ccc(c(c2)C)C)/S/C/1=C\c1cccnc1

STK842740
Synonyms: 2-(2-fluorophenyl)-4-(4-methoxyphenoxy)quinazoline
Smiles: COc1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccccc1F

STK546410
Synonyms: 3-methyl-2-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoicacid
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)C(C(=O)O)C(C)C

STK546411
Synonyms: 4,4'-ethene-1,1-diyldiphenol
Smiles: C=C(c1ccc(cc1)O)c1ccc(cc1)O

STK842746
Synonyms: 4-{[4-(4-ethoxyphenyl)phthalazin-1-yl]amino}benzenesulfonamide
Smiles: CCOc1ccc(cc1)c1nnc(c2c1cccc2)Nc1ccc(cc1)S(=O)(=O)N

STK546416
Synonyms: 2-hydroxy-N-{(5Z)-4-oxo-5-[4-(prop-2-en-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}benzamide
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1O

STK546427
Synonyms: 4-{2-[(2E)-2-(2-chlorobenzylidene)hydrazinyl]-2-oxoethoxy}-N'-[(E)-(2-chlorophenyl)methylidene]benzohydrazide
Smiles: O=C(COc1ccc(cc1)C(=O)N/N=C/c1ccccc1Cl)N/N=C/c1ccccc1Cl

STK546431
Synonyms: 2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate
Smiles: O=C(C1C(C1(C)C)C=C(Cl)Cl)OCCn1nc(cc1C)C

STK842749
Synonyms: 2,4,7,8-tetramethyl-1,2,3,4-tetrahydroquinoline
Smiles: CC1CC(C)c2c(N1)c(C)c(cc2)C

STK546436
Synonyms: 1-(1H-benzimidazol-2-ylmethoxy)-3-(4-methoxyphenyl)quinoxalin-2(1H)-one4-oxide
Smiles: COc1ccc(cc1)c1c(=O)n(OCc2nc3c([nH]2)cccc3)c2c([n+]1[O-])cccc2

STK842750
Synonyms: 3-amino-N-(3-chloro-2-methylphenyl)-4-(thiophen-2-yl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
Smiles: O=C(c1sc2c(c1N)c(c1cccs1)c1c(n2)CCC1)Nc1cccc(c1C)Cl

STK546438
Synonyms: 2-(4-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1ccccc1C

STK842754
Synonyms: N-({2-[(5-chloro-2-methoxyphenyl)carbonyl]hydrazinyl}carbonothioyl)pyridine-3-carboxamide
Smiles: COc1ccc(cc1C(=O)NNC(=S)NC(=O)c1cccnc1)Cl

STK546449
Synonyms: 6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(furan-2-ylmethyl)hexanamide
Smiles: O=C(NCc1ccco1)CCCCCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK842759
Synonyms: N-benzyl-2-(2-fluorophenyl)quinazolin-4-amine
Smiles: Fc1ccccc1c1nc(NCc2ccccc2)c2c(n1)cccc2

STK546454
Synonyms: 6-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}hexanoicacid
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCCCCC(=O)O

STK546458
Synonyms: 2-amino-9-(2,3-dimethoxyphenyl)-4-methyl-7-oxo-6,7,8,9-tetrahydrothieno[2,3-b:4,5-b']dipyridine-3-carbonitrile
Smiles: COc1c(OC)cccc1C1CC(=O)Nc2c1c1nc(N)c(c(c1s2)C)C#N

STK546465
Synonyms: 2-amino-1-(4-hydroxyphenyl)-N-phenyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: Oc1ccc(cc1)n1c(N)c(c2c1nc1ccccc1n2)C(=O)Nc1ccccc1

STK546466
Synonyms: N,N'-bis(4-chlorophenyl)-1-methyl-1H-pyrazole-3,5-dicarboxamide
Smiles: Clc1ccc(cc1)NC(=O)c1cc(n(n1)C)C(=O)Nc1ccc(cc1)Cl

STK546468
Synonyms: 2-(2-cyclopropyl-2-oxoethoxy)-5-methoxybenzonitrile
Smiles: N#Cc1cc(OC)ccc1OCC(=O)C1CC1

STK546470
Synonyms: ethyl8-chloro-4-{[2-(dimethylamino)ethyl]amino}quinoline-3-carboxylate
Smiles: CCOC(=O)c1cnc2c(c1NCCN(C)C)cccc2Cl

STK842767
Synonyms: {2-methoxy-5-[(4-methylphthalazin-1-yl)amino]phenyl}(piperidin-1-yl)methanone
Smiles: COc1ccc(cc1C(=O)N1CCCCC1)Nc1nnc(c2c1cccc2)C

STK546474
Synonyms: (2E)-N-{[4-(carbamimidoylsulfamoyl)phenyl]carbamothioyl}-3-(4-methoxyphenyl)prop-2-enamide
Smiles: COc1ccc(cc1)/C=C/C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)NC(=N)N

STK842771
Synonyms: 5-(2-fluorophenyl)-3-hydroxy-1-phenyl-4-(phenylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: O=C(C1=C(O)C(=O)N(C1c1ccccc1F)c1ccccc1)c1ccccc1

STK546489
Synonyms: N-(4-acetylphenyl)-3-bromo-2-oxo-2H-pyran-5-carboxamide
Smiles: O=C(c1coc(=O)c(c1)Br)Nc1ccc(cc1)C(=O)C

STK842777
Synonyms: N-(3-chloro-4-methoxyphenyl)-2-{[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(c(c2)Cl)OC)NC(=O)CC1c1ccccc1F

STK546492
Synonyms: 1-(4-bromophenyl)-3-hydroxy-5-(4-nitrophenyl)-4-(phenylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: Brc1ccc(cc1)N1C(c2ccc(cc2)[N+](=O)[O-])C(=C(C1=O)O)C(=O)c1ccccc1

STK546493
Synonyms: 4-{2-[(2E)-2-(2-nitrobenzylidene)hydrazinyl]-2-oxoethoxy}-N'-[(E)-(2-nitrophenyl)methylidene]benzohydrazide
Smiles: O=C(COc1ccc(cc1)C(=O)N/N=C/c1ccccc1[N+](=O)[O-])N/N=C/c1ccccc1[N+](=O)[O-]

STK842779
Synonyms: 2-ethoxyethyl2-{[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate
Smiles: CCOCCOC(=O)C(Oc1ccc2c(c1)occ(c2=O)Oc1cc(C)c(c(c1)C)Cl)C

STK546494
Synonyms: (5Z)-3-(4-chlorophenyl)-5-[4-(prop-2-en-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)Cl

STK842781
Synonyms: ethyl2-{[(pyridin-3-ylcarbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=S)NC(=O)c2cccnc2)sc2c1CCCC2

STK546496
Synonyms: 2-fluorobenzylN'-cyano-N-propan-2-ylcarbamimidothioate
Smiles: N#C/N=C(\NC(C)C)/SCc1ccccc1F

STK546502
Synonyms: N-(3-bromophenyl)-N-(3-cyano-4,6-dimethylpyridin-2-yl)acetamide
Smiles: N#Cc1c(C)cc(nc1N(c1cccc(c1)Br)C(=O)C)C

STK546507
Synonyms: 6-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]oxy}pyridazin-3-ol
Smiles: CCNc1nc(Oc2ccc(nn2)O)nc(n1)Cl

STK546508
Synonyms: 3-amino-6-oxo-2-(phenylcarbamoyl)-6,7-dihydrothieno[2,3-b]pyridine-5-carboxylicacid
Smiles: O=C(c1sc2c(c1N)cc(c(=O)[nH]2)C(=O)O)Nc1ccccc1

STK546514
Synonyms: methylcyano{3-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl}acetate
Smiles: COC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)c1ccccc1OC)C#N

STK546524
Synonyms: 7-[2-(4-chlorophenyl)-2-oxoethoxy]-9-(methylsulfanyl)-8-azaspiro[4.5]deca-6,9-diene-6,10-dicarbonitrile
Smiles: CSC1=C(C#N)C2(C(=C(N1)OCC(=O)c1ccc(cc1)Cl)C#N)CCCC2

STK842784
Synonyms: 4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
Smiles: OCCCCNc1ncnc2c1c(cs2)c1ccccc1

STK842785
Synonyms: 3-amino-N-(1-phenylethyl)-6-(thiophen-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: O=C(c1sc2c(c1N)c(cc(n2)c1cccs1)C(F)(F)F)NC(c1ccccc1)C

STK546529
Synonyms: N-[(5Z)-5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-nitrobenzamide
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)[N+](=O)[O-]

STK546531
Synonyms: 2,7-bis[2-(2-chlorophenoxy)ethyl]benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone
Smiles: Clc1ccccc1OCCn1c(=O)c2ccc3c4c2c(c1=O)ccc4c(=O)n(c3=O)CCOc1ccccc1Cl

STK546534
Synonyms: 4-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoicacid
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCCC(=O)O

STK546540
Synonyms: prop-2-en-1-yl2-amino-1-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: C=CCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc2c(c1)OCO2

STK842791
Synonyms: 5-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylamino)pentan-1-ol
Smiles: OCCCCCNc1ncnc2c1c1CCCCc1s2

STK546542
Synonyms: 1-(1H-benzimidazol-2-ylmethoxy)-3-(4-ethoxyphenyl)quinoxalin-2(1H)-one4-oxide
Smiles: CCOc1ccc(cc1)c1c(=O)n(OCc2nc3c([nH]2)cccc3)c2c([n+]1[O-])cccc2

STK842793
Synonyms: 3-amino-6-tert-butyl-N-cyclopropyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: O=C(c1sc2c(c1N)c(cc(n2)C(C)(C)C)C(F)(F)F)NC1CC1

STK842795
Synonyms: 2-[4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl]-N-methylacetamide
Smiles: CNC(=O)Cn1nc(c2ccc(cc2)Cl)c2c(c1=O)cccc2

STK842798
Synonyms: methyl{[3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate
Smiles: COC(=O)COc1ccc2c(c1)occ(c2=O)Oc1ccccc1Cl

STK546556
Synonyms: 2-[(5Z)-5-(2,4-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-3-methylbutanoicacid
Smiles: COc1cc(OC)ccc1/C=C/1\SC(=S)N(C1=O)C(C(=O)O)C(C)C

STK546559
Synonyms: 5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-6-({2-[(4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)[N+](=O)[O-])NC(=C(C1c1ccco1)C(=O)Nc1ccccc1OC)C

STK546561
Synonyms: 3-amino-N,N-diethyl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: CCN(C(=O)c1sc2c(c1N)cc1c(n2)CCCC1=O)CC

STK546564
Synonyms: 3-({5-[(2-ethoxy-2-oxoethyl)(phenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoicacid
Smiles: CCOC(=O)CN(C1SC(=O)N(C1=O)Cc1cccc(c1)C(=O)O)c1ccccc1

STK842800
Synonyms: 2-{[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2nccs2)NC(=O)CC1c1ccccc1F

STK842801
Synonyms: 2-phenylthiomorpholin-3-one
Smiles: O=C1NCCSC1c1ccccc1

STK546570
Synonyms: 3-({[2-(4-bromophenyl)quinolin-4-yl]carbonyl}amino)benzoicacid
Smiles: Brc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)Nc1cccc(c1)C(=O)O

STK546574
Synonyms: diethyl[(2,4-dichlorophenyl)(hydroxy)methyl]phosphonate
Smiles: CCOP(=O)(C(c1ccc(cc1Cl)Cl)O)OCC

STK842805
Synonyms: 4-[4-(cyclohexylamino)-3-nitrophenyl]-2-methylphthalazin-1(2H)-one
Smiles: O=c1n(C)nc(c2c1cccc2)c1ccc(c(c1)[N+](=O)[O-])NC1CCCCC1

STK842806
Synonyms: 2-[(2-chlorophenyl)amino]-4,6-dimethylpyridine-3-carboxamide
Smiles: Cc1nc(Nc2ccccc2Cl)c(c(c1)C)C(=O)N

STK546588
Synonyms: ethyl4-[(4-methoxyphenyl)amino]-2-methylquinoline-6-carboxylate
Smiles: CCOC(=O)c1ccc2c(c1)c(Nc1ccc(cc1)OC)cc(n2)C

STK842808
Synonyms: [methanediylbis(1H-benzimidazole-6,2-diyl)]dimethanol
Smiles: OCc1nc2c([nH]1)cc(cc2)Cc1ccc2c(c1)[nH]c(n2)CO

STK546593
Synonyms: prop-2-en-1-yl4-[4-(benzyloxy)-3-methoxyphenyl]-5-cyano-2-methyl-6-({2-[(2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)OCc1ccccc1)C#N)SCC(=O)Nc1ccccc1C

STK546594
Synonyms: 2,7-bis({4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl}sulfonyl)-9H-fluoren-9-one
Smiles: Cc1ccc(cc1)OCCN1CCN(CC1)S(=O)(=O)c1ccc2c(c1)C(=O)c1c2ccc(c1)S(=O)(=O)N1CCN(CC1)CCOc1ccc(cc1)C

STK546596
Synonyms: 2-(2,3-dimethoxyphenyl)-10-iminotetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile
Smiles: N#CC12C(=N)OC3(OC1c1cccc(c1OC)OC)C(C2(C#N)C#N)CCCC3

STK546598
Synonyms: (5Z)-3-(4-hydroxyphenyl)-5-[4-(prop-2-en-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)O

STK546599
Synonyms: 7-heptyl-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCCCC1

STK546603
Synonyms: 4-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]pyrimidin-2(1H)-one
Smiles: COc1ccc(cc1)/C=N/Nc1cc[nH]c(=O)n1

STK546604
Synonyms: (5Z)-5-[4-(octyloxy)benzylidene]-3-phenyl-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1ccccc1

STK546605
Synonyms: prop-2-en-1-yl6-[(2-amino-2-oxoethyl)sulfanyl]-4-[4-(benzyloxy)-3-methoxyphenyl]-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)OCc1ccccc1)C#N)SCC(=O)N

STK546619
Synonyms: 2-[(5Z)-5-(1H-indol-3-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioicacid
Smiles: OC(=O)CC(N1C(=S)S/C(=C\c2c[nH]c3c2cccc3)/C1=O)C(=O)O

STK842820
Synonyms: 4-[3-nitro-4-(phenylamino)phenyl]phthalazin-1(2H)-one
Smiles: O=c1[nH]nc(c2c1cccc2)c1ccc(c(c1)[N+](=O)[O-])Nc1ccccc1

STK546629
Synonyms: 2-[(5Z)-5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoicacid
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=S)N(C1=O)C(C(=O)O)CC

STK842823
Synonyms: [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](1,3-benzodioxol-5-yl)methanone
Smiles: C=CCNc1nc(c(s1)C(=O)c1ccc2c(c1)OCO2)N

STK842824
Synonyms: N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-4-chloro-N-(4-methylphenyl)benzenesulfonamide
Smiles: OC(CN(S(=O)(=O)c1ccc(cc1)Cl)c1ccc(cc1)C)Cn1c2ccccc2c2c1cccc2

STK546633
Synonyms: methyl4-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=S)NC(=O)c1c(C)onc1c1ccccc1

STK842826
Synonyms: 1-(diethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCN(c1cc(C)c(c2n1c1ccccc1n2)C#N)CC

STK842827
Synonyms: N-[5-methyl-4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3-thiazol-2-yl]-2,2-diphenylacetamide
Smiles: O=C(C(c1ccccc1)c1ccccc1)Nc1sc(c(n1)C12CC3CC(C2)CC(C1)C3)C

STK546637
Synonyms: 5-(4-benzylpiperazin-1-yl)-6-methyl-1,2,4-triazin-3(2H)-one
Smiles: Cc1n[nH]c(=O)nc1N1CCN(CC1)Cc1ccccc1

STK546638
Synonyms: ethyl4-(3-{cyano[(4-methylphenyl)sulfonyl]methyl}quinoxalin-2-yl)piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)c1nc2ccccc2nc1C(S(=O)(=O)c1ccc(cc1)C)C#N

STK842832
Synonyms: ethyl2'-amino-3'-cyano-7',9'-dimethyl-1H-spiro[piperidine-4,4'-pyrano[2',3':4,5]thieno[2,3-b]pyridine]-1-carboxylate
Smiles: CCOC(=O)N1CCC2(CC1)C(=C(N)Oc1c2sc2c1c(C)cc(n2)C)C#N

STK546642
Synonyms: [(4-chlorophenyl)sulfonyl][3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]acetonitrile
Smiles: N#CC(S(=O)(=O)c1ccc(cc1)Cl)c1nc2ccccc2nc1N1CCCC(C1)C

STK546645
Synonyms: methyl5-chloro-3-({3-[4-(ethoxycarbonyl)piperidin-1-yl]propanoyl}amino)-1H-indole-2-carboxylate
Smiles: CCOC(=O)C1CCN(CC1)CCC(=O)Nc1c([nH]c2c1cc(Cl)cc2)C(=O)OC

STK546647
Synonyms: methyl5-bromo-1-(3,4-dimethoxybenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylate
Smiles: COC(=O)c1cc(Br)c(=O)n(c1)Cc1ccc(c(c1)OC)OC

STK546657
Synonyms: 6-amino-4-(cyclohex-2-en-1-yl)-3-(thiophen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1C1CCCC=C1)c([nH]n2)c1cccs1

STK546658
Synonyms: (2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-phenylethanethioamide
Smiles: O=C(CSc1nnc(s1)SCc1ccc(cc1)C)N/N=C/C(=S)Nc1ccccc1

STK842838
Synonyms: N~4~-benzyl-N~2~-(2-fluorophenyl)quinazoline-2,4-diamine
Smiles: Fc1ccccc1Nc1nc(NCc2ccccc2)c2c(n1)cccc2

STK546659
Synonyms: 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
Smiles: COc1cc(ccc1OC)NC(=O)CSc1nnc(s1)SCc1ccccc1

STK842840
Synonyms: 2-methyl-4-[4-methyl-3-(morpholin-4-ylsulfonyl)phenyl]phthalazin-1(2H)-one
Smiles: Cc1ccc(cc1S(=O)(=O)N1CCOCC1)c1nn(C)c(=O)c2c1cccc2

STK546660
Synonyms: (1E)-N-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)ethanimine
Smiles: O/N=C(/c1nc2c(s1)cc(cc2)OC)\C

STK546662
Synonyms: 11-benzyl-2-methyl-3-(prop-2-en-1-yl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: C=CCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1

STK842843
Synonyms: methyl2-amino-1-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: COC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1)OC

STK546666
Synonyms: methyl2-amino-1-(2,5-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: COC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1cc(C)ccc1C

STK842848
Synonyms: 4-[3-nitro-4-(piperidin-1-yl)phenyl]phthalazin-1(2H)-one
Smiles: [O-][N+](=O)c1cc(ccc1N1CCCCC1)c1n[nH]c(=O)c2c1cccc2

STK842849
Synonyms: 3-{[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]amino}propan-1-ol
Smiles: OCCCNc1nc2ccc(cc2c(n1)c1ccccc1Cl)Br

STK842851
Synonyms: [3-amino-4-(thiophen-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl](thiophen-2-yl)methanone
Smiles: O=C(c1sc2c(c1N)c(c1cccs1)c1c(n2)CCCC1)c1cccs1

STK546681
Synonyms: N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-phenylacetamide
Smiles: O=C(NC(C(F)(F)F)(C(F)(F)F)NC1=NCCS1)Cc1ccccc1

STK842852
Synonyms: N-(3-hydroxypropyl)-2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide
Smiles: OCCCNS(=O)(=O)c1cc(ccc1C)c1nn(C)c(=O)c2c1cccc2

STK546686
Synonyms: {[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}aceticacid
Smiles: OC(=O)CSc1ncnc2c1c(cs2)c1ccc(cc1)Cl

STK546688
Synonyms: 2-(3-bromo-6-methoxy-2-methyl-4-oxoquinolin-1(4H)-yl)-N-(2-methylphenyl)acetamide
Smiles: COc1ccc2c(c1)c(=O)c(c(n2CC(=O)Nc1ccccc1C)C)Br

STK546690
Synonyms: 2-fluorobenzylN'-cyano-N-(3-fluorophenyl)carbamimidothioate
Smiles: N#C/N=C(\Nc1cccc(c1)F)/SCc1ccccc1F

STK546691
Synonyms: 3-(1,3-benzothiazol-2-yl)propanenitrile
Smiles: N#CCCc1nc2c(s1)cccc2

STK546695
Synonyms: 2-nitro-N-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Smiles: S=C1S/C(=C\c2ccncc2)/C(=O)N1NC(=O)c1ccccc1[N+](=O)[O-]

STK842858
Synonyms: 3-{[2-(4-nitrophenyl)quinazolin-4-yl]amino}phenol
Smiles: Oc1cccc(c1)Nc1nc(nc2c1cccc2)c1ccc(cc1)[N+](=O)[O-]

STK546701
Synonyms: 3-amino-4-(4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1ccc(cc1)c1cc(nc2c1c(N)c(s2)C(=O)Nc1noc(c1)C)c1ccccc1

STK546711
Synonyms: (5Z)-3-(4-fluorophenyl)-5-[4-(octyloxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)F

STK546712
Synonyms: 2,7-bis[2-(4-methoxyphenoxy)ethyl]benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone
Smiles: COc1ccc(cc1)OCCn1c(=O)c2ccc3c4c2c(c1=O)ccc4c(=O)n(c3=O)CCOc1ccc(cc1)OC

STK546715
Synonyms: 6-amino-1-(3-chlorophenyl)-4-(4-methoxyphenyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(cc1)OC)c(C)nn2c1cccc(c1)Cl

STK842866
Synonyms: N,N-dimethyl-4-{[(1-oxo-4-phenylphthalazin-2(1H)-yl)acetyl]amino}benzamide
Smiles: O=C(Cn1nc(c2ccccc2)c2c(c1=O)cccc2)Nc1ccc(cc1)C(=O)N(C)C

STK842870
Synonyms: 9-(dicyanomethylidene)-9H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile
Smiles: N#Cc1nc2C(=C(C#N)C#N)c3c(c2nc1C#N)cccc3

STK842871
Synonyms: N-(4-fluorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2(1H)-yl]acetamide
Smiles: Cc1ccc(cc1)c1nn(CC(=O)Nc2ccc(cc2)F)c(=O)c2c1cccc2

STK842873
Synonyms: 2-(1-oxo-4-phenylphthalazin-2(1H)-yl)-N-[4-(piperidin-1-ylcarbonyl)phenyl]acetamide
Smiles: O=C(Cn1nc(c2ccccc2)c2c(c1=O)cccc2)Nc1ccc(cc1)C(=O)N1CCCCC1

STK546731
Synonyms: 2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc3c2cccc3)NC(=O)CC1c1ccc(c(c1)OC)OC

STK546738
Synonyms: 4-[(E)-{2-[2-(pyridin-3-yl)quinazolin-4-yl]hydrazinylidene}methyl]benzene-1,3-diol
Smiles: Oc1ccc(c(c1)O)/C=N/Nc1nc(nc2c1cccc2)c1cccnc1

STK546739
Synonyms: 4-(methylsulfanyl)-2-{(5Z)-4-oxo-5-[4-(prop-2-en-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}butanoicacid
Smiles: CSCCC(N1C(=S)S/C(=C\c2ccc(cc2)OCC=C)/C1=O)C(=O)O

STK842877
Synonyms: N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N(c1c(C)cccc1C)CC(Cn1c2ccccc2c2c1cccc2)O

STK546742
Synonyms: 6-{[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy}pyridazin-3-ol
Smiles: Clc1nc(Oc2ccc(nn2)O)nc(n1)N(C)C

STK546745
Synonyms: N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl]-4-fluorobenzamide
Smiles: S=C(NC(=O)c1ccc(cc1)F)Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1

STK546746
Synonyms: 6-bromo-7,7-dimethyl-2-(methylsulfanyl)-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: CSc1nc2CC(C)(C)C(C(=O)c2cc1C#N)Br

STK842878
Synonyms: 2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]-N-(furan-2-ylmethyl)acetamide
Smiles: O=C(Cn1cnc2c(c1=O)c(cs2)c1ccc(c(c1)C)C)NCc1ccco1

STK842881
Synonyms: 3-amino-4-cyano-5-(phenylamino)-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
Smiles: N#Cc1c(Nc2ccccc2)sc(c1N)C(=O)Nc1cccc(c1)C(F)(F)F

STK842884
Synonyms: methyl4-[(1-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1nc2ccccc2n2c1nnc2C

STK842888
Synonyms: 2-methyl-4-[4-methyl-3-(piperidin-1-ylsulfonyl)phenyl]phthalazin-1(2H)-one
Smiles: Cc1ccc(cc1S(=O)(=O)N1CCCCC1)c1nn(C)c(=O)c2c1cccc2

STK546768
Synonyms: 2-(azepan-1-yl)-6-phenylpyrimidine-4-carboxamide
Smiles: NC(=O)c1nc(nc(c1)c1ccccc1)N1CCCCCC1

STK546770
Synonyms: (5Z)-3-(2,3-dimethylphenyl)-5-[4-(prop-2-en-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1cccc(c1C)C

STK546771
Synonyms: (2E)-3-(4-fluorophenyl)-N-{[4-(pyridin-2-yl)piperazin-1-yl]carbonothioyl}prop-2-enamide
Smiles: O=C(NC(=S)N1CCN(CC1)c1ccccn1)/C=C/c1ccc(cc1)F

STK842892
Synonyms: 2-[(4-butyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)amino]ethanol
Smiles: CCCCc1nc2sc3c(c2c2c1CCC2)ncnc3NCCO

STK546772
Synonyms: 1-(3,6-dichloro-9H-carbazol-9-yl)-3-[(2-methoxyethyl)amino]propan-2-ol
Smiles: COCCNCC(Cn1c2ccc(cc2c2c1ccc(c2)Cl)Cl)O

STK842896
Synonyms: 4-(4-methylphenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phthalazin-1(2H)-one
Smiles: CN1CCN(CC1)C(=O)Cn1nc(c2ccc(cc2)C)c2c(c1=O)cccc2

STK842897
Synonyms: diethyl4-[(3-hydroxypropyl)amino]quinoline-3,6-dicarboxylate
Smiles: OCCCNc1c(cnc2c1cc(cc2)C(=O)OCC)C(=O)OCC

STK842900
Synonyms: N-[4-(diphenylmethyl)-1,3-thiazol-2-yl]acetamide
Smiles: CC(=O)Nc1scc(n1)C(c1ccccc1)c1ccccc1

STK842902
Synonyms: 2-{[6-amino-4-(4-chlorophenyl)-3,5-dicyanopyridin-2-yl]sulfanyl}acetamide
Smiles: N#Cc1c(SCC(=O)N)nc(c(c1c1ccc(cc1)Cl)C#N)N

STK842903
Synonyms: 4-{[2-(2-fluorophenyl)quinazolin-4-yl]amino}phenol
Smiles: Oc1ccc(cc1)Nc1nc(nc2c1cccc2)c1ccccc1F

STK546798
Synonyms: (5Z)-3-(3-chloro-4-fluorophenyl)-5-[4-(octyloxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1ccc(c(c1)Cl)F

STK546800
Synonyms: ethyl5-bromo-3-[(thiophen-2-ylcarbonyl)amino]-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1cccs1)cc(cc2)Br

STK842904
Synonyms: 3-amino-4-(furan-2-yl)-N-(4-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1sc2c(c1N)c(c1ccco1)c1c(n2)CCCC1

STK546806
Synonyms: 2,7-bis{[4-(4-methoxybenzyl)piperazin-1-yl]sulfonyl}-9H-fluoren-9-one
Smiles: COc1ccc(cc1)CN1CCN(CC1)S(=O)(=O)c1ccc2c(c1)C(=O)c1c2ccc(c1)S(=O)(=O)N1CCN(CC1)Cc1ccc(cc1)OC

STK842908
Synonyms: 3-amino-4-(furan-2-yl)-N-(3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
Smiles: COc1cccc(c1)NC(=O)c1sc2c(c1N)c(c1ccco1)c1c(n2)CCCCC1

STK546811
Synonyms: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-chloro-5H-pyrimido[5,4-b]indole
Smiles: Clc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)Cc1ccc2c(c1)OCO2

STK842909
Synonyms: 3-chloro-4-[(2-hydroxyphenyl)amino]-1-(2-phenylethyl)-1H-pyrrole-2,5-dione
Smiles: O=C1C(=C(C(=O)N1CCc1ccccc1)Cl)Nc1ccccc1O

STK842911
Synonyms: 1-methyl-2-[(phenylamino)methyl]-1H-indole-3-carbonitrile
Smiles: N#Cc1c(CNc2ccccc2)n(c2c1cccc2)C

STK546819
Synonyms: 6-bromo-4-(2-chlorophenyl)-2-ethoxyquinazoline
Smiles: CCOc1nc2ccc(cc2c(n1)c1ccccc1Cl)Br

STK842913
Synonyms: ethyl3-[1-(cyclohexyloxy)-1-oxopropan-2-yl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Smiles: CCOC(=O)c1sc2c(c1C)c(=O)n(cn2)C(C(=O)OC1CCCCC1)C

STK842915
Synonyms: 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl4-nitrobenzoate
Smiles: Clc1ccc(cc1)c1c(=O)c2ccc(cc2oc1C(F)(F)F)OC(=O)c1ccc(cc1)[N+](=O)[O-]

STK546824
Synonyms: 3-(3,4-dimethoxyphenyl)-1-ethoxyquinoxalin-2(1H)-one4-oxide
Smiles: CCOn1c(=O)c(c2ccc(c(c2)OC)OC)[n+](c2c1cccc2)[O-]

STK546825
Synonyms: 4-[(2E)-2-(2-ethoxybenzylidene)hydrazinyl]pyrimidin-2(1H)-one
Smiles: CCOc1ccccc1/C=N/Nc1cc[nH]c(=O)n1

STK546832
Synonyms: 4-bromo-N-[(5Z)-5-(2,4-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Smiles: COc1cc(OC)ccc1/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)Br

STK842917
Synonyms: 1-(cyclohexyloxy)-3-(2-methyl-1H-benzimidazol-1-yl)propan-2-ol
Smiles: OC(Cn1c(C)nc2c1cccc2)COC1CCCCC1

STK842919
Synonyms: methyl{[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate
Smiles: COC(=O)COc1ccc2c(c1)occ(c2=O)Oc1cc(C)c(c(c1)C)Cl

STK842920
Synonyms: 2-{[3-cyano-4-(furan-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)[N+](=O)[O-])NC(=O)CC1c1ccco1

STK842922
Synonyms: 3-amino-N-(4-chlorophenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)c1sc2c(c1N)c(C)cc(n2)C(F)(F)F

STK546838
Synonyms: (5Z)-3-(3,4-dichlorophenyl)-5-[4-(octyloxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1ccc(c(c1)Cl)Cl

STK546850
Synonyms: N'-[(E)-(1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]benzohydrazide
Smiles: CCCCN1C(=O)NC(=O)/C(=C\NNC(=O)c2ccccc2)/C1=O

STK842926
Synonyms: 3-amino-N-(4-fluorophenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: Fc1ccc(cc1)NC(=O)c1sc2c(c1N)c(C)cc(n2)C(F)(F)F

STK842928
Synonyms: N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
Smiles: COc1ccc(cc1)c1nc(NCc2ccccc2)c2c(n1)cccc2

STK546859
Synonyms: 6-{[4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy}pyridazin-3-ol
Smiles: CCNc1nc(Oc2ccc(nn2)O)nc(n1)NC(C)(C)C

STK842931
Synonyms: N-benzyl-2-{[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
Smiles: O=C(NCc1ccccc1)CSc1nnc(o1)c1sc2c(c1Cl)cccc2

STK842935
Synonyms: 3-amino-N-(4-fluorophenyl)-4-(furan-2-yl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
Smiles: Fc1ccc(cc1)NC(=O)c1sc2c(c1N)c(c1ccco1)c1c(n2)CCC1

STK842936
Synonyms: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide
Smiles: N#Cc1cc2CCCCc2nc1SCC(=O)Nc1sc2c(c1C#N)CCCC2

STK546880
Synonyms: 2-[(5Z)-5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-3-methylbutanoicacid
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=S)N(C1=O)C(C(=O)O)C(C)C

STK842937
Synonyms: 3-amino-4-(furan-2-yl)-N-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
Smiles: Cc1ccc(cc1)NC(=O)c1sc2c(c1N)c(c1ccco1)c1c(n2)CCCCC1

STK842938
Synonyms: 1-[7-(2,4-dichlorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
Smiles: Clc1ccc(c(c1)Cl)C1C(=C(C)Nc2n1ncn2)C(=O)C

STK546888
Synonyms: methyl5-bromo-1-(3-fluorophenyl)-6-oxo-1,6-dihydropyridine-3-carboxylate
Smiles: COC(=O)c1cc(Br)c(=O)n(c1)c1cccc(c1)F

STK842939
Synonyms: 3-chloro-1-(2-phenylethyl)-4-[(tetrahydrofuran-2-ylmethyl)amino]-1H-pyrrole-2,5-dione
Smiles: O=C1C(=C(C(=O)N1CCc1ccccc1)Cl)NCC1CCCO1

STK546889
Synonyms: (5Z)-3-(3-fluorophenyl)-5-[4-(prop-2-en-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1cccc(c1)F

STK546890
Synonyms: 3-hydroxy-N-{(5Z)-4-oxo-5-[4-(prop-2-en-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}benzamide
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1cccc(c1)O

STK546903
Synonyms: 3-[(dimethylamino)methyl]-6-ethyl-2-methylquinolin-4-ol
Smiles: CCc1ccc2c(c1)c(O)c(c(n2)C)CN(C)C

STK546906
Synonyms: (5Z)-5-[4-(octyloxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)NC1=O

STK546908
Synonyms: 4-[(2-{[1-(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl]amino}phenyl)amino]-4-oxobutanoicacid
Smiles: CCC(=C1C(=O)N(C)C(=O)N(C1=O)C)Nc1ccccc1NC(=O)CCC(=O)O

STK546910
Synonyms: 5-{4-[(3-hydroxyphenyl)amino]phthalazin-1-yl}-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
Smiles: Oc1cccc(c1)Nc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)NCc1cccnc1)C

STK546916
Synonyms: 2-(3-bromo-6-methoxy-2-methyl-4-oxoquinolin-1(4H)-yl)-N-phenylacetamide
Smiles: COc1ccc2c(c1)c(=O)c(c(n2CC(=O)Nc1ccccc1)C)Br

STK546917
Synonyms: (5Z)-5-(2,4-dimethoxybenzylidene)-2-(phenylamino)-1,3-thiazol-4(5H)-one
Smiles: COc1cc(OC)ccc1/C=C/1\SC(=NC1=O)Nc1ccccc1

STK842949
Synonyms: 2-{[3-cyano-4-(4-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N,N-diethylacetamide
Smiles: CCN(C(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(cc1)F)CC

STK842953
Synonyms: 2-(3-chloro-1-benzothiophen-2-yl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,3,4-oxadiazole
Smiles: Clc1c(sc2c1cccc2)c1nnc(o1)SC/C=C/c1ccccc1

STK546923
Synonyms: N-(4-methoxyphenyl)-2-oxo-2H-pyran-5-carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1ccc(=O)oc1

STK842954
Synonyms: 2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(c(c1)OC)OC

STK546926
Synonyms: ethyl2-({[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CSc2nc(C)cc(c2C#N)C)sc2c1CCC2

STK842955
Synonyms: 5-amino-6-(butylsulfanyl)-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Smiles: CCCCSc1nc2n(ncc2c(=O)n1N)c1ccccc1

STK546934
Synonyms: 4-[(2E)-2-(4-propoxybenzylidene)hydrazinyl]pyrimidin-2(1H)-one
Smiles: CCCOc1ccc(cc1)/C=N/Nc1cc[nH]c(=O)n1

STK546935
Synonyms: 4-(hexylsulfanyl)-2-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Smiles: CCCCCCSc1nc(nc2c1c1CCCCc1s2)c1ccccc1

STK546937
Synonyms: 2-{3-oxo-3-[(1-phenyl-1H-pyrazol-3-yl)amino]propyl}hexanoicacid
Smiles: CCCCC(C(=O)O)CCC(=O)Nc1ccn(n1)c1ccccc1

STK546945
Synonyms: 3-(4-benzylpiperazin-1-yl)-4-chloro-1-(3-chloro-4-methylphenyl)-1H-pyrrole-2,5-dione
Smiles: O=C1N(c2ccc(c(c2)Cl)C)C(=O)C(=C1N1CCN(CC1)Cc1ccccc1)Cl

STK842963
Synonyms: (3-chlorotricyclo[3.3.1.1~3,7~]dec-1-yl)(pyrrolidin-1-yl)methanone
Smiles: O=C(C12CC3CC(C1)CC(C2)(C3)Cl)N1CCCC1

STK546948
Synonyms: 4-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoicacid
Smiles: OC(=O)c1ccc(cc1)n1c(S)nnc1c1ccncc1

STK842965
Synonyms: ethyl2-amino-3-cyano-7-methyl-5-oxo-5,6,7,8-tetrahydro-1'H-spiro[chromene-4,4'-piperidine]-1'-carboxylate
Smiles: CCOC(=O)N1CCC2(CC1)C(=C(N)OC1=C2C(=O)CC(C1)C)C#N

STK546955
Synonyms: methyl3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
Smiles: COC(=O)c1sc2c(c1N)c(C)cc(n2)C(F)(F)F

STK842967
Synonyms: 4-bromo-N'-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1H-pyrazole-5-carbohydrazide
Smiles: [O-][N+](=O)c1cc2OCOc2cc1/C=N/NC(=O)c1[nH]ncc1Br

STK842969
Synonyms: 2-[4-(4-methylphenyl)-1-oxophthalazin-2(1H)-yl]-N-(pyridin-3-ylmethyl)acetamide
Smiles: O=C(Cn1nc(c2ccc(cc2)C)c2c(c1=O)cccc2)NCc1cccnc1

STK842970
Synonyms: N,N-bis(2-methoxyethyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
Smiles: COCCN(c1ncnc2c1c1CCC(Cc1s2)C)CCOC

STK842971
Synonyms: N-[(4-methoxyphenyl)(phenyl)methyl]-3-methyl-2-phenylbutanamide
Smiles: COc1ccc(cc1)C(c1ccccc1)NC(=O)C(c1ccccc1)C(C)C

STK842973
Synonyms: 2,2'-tricyclo[3.3.1.1~3,7~]decane-1,3-diylbis[1-(morpholin-4-yl)ethanone]
Smiles: O=C(N1CCOCC1)CC12CC3CC(C1)CC(C2)(C3)CC(=O)N1CCOCC1

STK842974
Synonyms: 2-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(2,6-difluorophenyl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2c(F)cccc2F)nc(cc1C(F)(F)F)c1cccs1

STK546970
Synonyms: 6-hydroxy-3-(prop-2-en-1-yl)-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidine-2,4(1H,3H)-dione
Smiles: C=CCn1c(=O)[nH]c(c(c1=O)C1NCCc2c1cccc2)O

STK842975
Synonyms: 3-amino-4-(furan-2-yl)-N-(4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
Smiles: O=C(c1sc2c(c1N)c(c1ccco1)c1c(n2)CCC1)Nc1ccc(cc1)[N+](=O)[O-]

STK842976
Synonyms: {4-[3-(cyclohexyloxy)-2-hydroxypropyl]piperazin-1-yl}(phenyl)methanone
Smiles: OC(CN1CCN(CC1)C(=O)c1ccccc1)COC1CCCCC1

STK546975
Synonyms: N-[2-(1H-benzimidazol-2-yl)propan-2-yl]-4-chlorobenzamide
Smiles: Clc1ccc(cc1)C(=O)NC(c1nc2c([nH]1)cccc2)(C)C

STK842978
Synonyms: 3-amino-5-oxo-N-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: O=C(c1sc2c(c1N)cc1c(n2)CCCC1=O)Nc1ccccc1C(F)(F)F

STK546981
Synonyms: ethyl6-bromo-5-methoxy-1-methyl-2-(piperidin-1-ylmethyl)-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OC)c(cc2n(c1CN1CCCCC1)C)Br

STK546983
Synonyms: 2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl3-chloro-1-benzothiophene-2-carboxylate
Smiles: Cc1nn(c(c1)C)CCOC(=O)c1sc2c(c1Cl)cccc2

STK546990
Synonyms: (4-amino-2-{[3-(trifluoromethyl)phenyl]amino}-1,3-thiazol-5-yl)(1,3-benzodioxol-4-yl)methanone
Smiles: Nc1nc(sc1C(=O)c1cccc2c1OCO2)Nc1cccc(c1)C(F)(F)F

STK546993
Synonyms: 3-amino-N-(3-chloro-4-methylphenyl)-4-(thiophen-2-yl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
Smiles: O=C(c1sc2c(c1N)c(c1cccs1)c1c(n2)CCC1)Nc1ccc(c(c1)Cl)C

STK546994
Synonyms: N-(4-methyl-5-{[(2Z)-2-(1-phenylethylidene)hydrazinyl]carbonyl}-1,3-thiazol-2-yl)benzenesulfonamide
Smiles: C/C(=N/NC(=O)c1sc(nc1C)NS(=O)(=O)c1ccccc1)/c1ccccc1

STK842983
Synonyms: N-(2-chlorophenyl)-2-{[3-cyano-4-(2,3-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2Cl)NC(=O)CC1c1cccc(c1OC)OC

STK547000
Synonyms: 2-{[6-amino-3,5-dicyano-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: N#Cc1c(SCC(=O)Nc2cccc(c2)C(F)(F)F)nc(c(c1c1cccs1)C#N)N

STK547002
Synonyms: 3-nitro-N-[(5Z)-4-oxo-5-(pyridin-3-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Smiles: S=C1S/C(=C\c2cccnc2)/C(=O)N1NC(=O)c1cccc(c1)[N+](=O)[O-]

STK547004
Synonyms: 4-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}-2-ethoxyphenyl3-methyl-4-nitrobenzoate
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2CN(CC)CC)c2nonc2N)ccc1OC(=O)c1ccc(c(c1)C)[N+](=O)[O-]

STK842990
Synonyms: 3,5,7-trimethyl-N-(morpholin-4-ylcarbonothioyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Smiles: S=C(N1CCOCC1)NC(=O)C12CC3(C)CC(C2)(CC(C1)(C3)C)C

STK547010
Synonyms: 5-{4-[(4-methoxyphenyl)amino]phthalazin-1-yl}-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
Smiles: COc1ccc(cc1)Nc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)NCc1cccnc1)C

STK842992
Synonyms: 2-{[3-cyano-4-(4-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)OC)NC(=O)CC1c1ccc(cc1)F

STK547015
Synonyms: N-(3,4-dichlorophenyl)-4-[4-(prop-2-yn-1-yloxy)phenyl]phthalazin-1-amine
Smiles: C#CCOc1ccc(cc1)c1nnc(c2c1cccc2)Nc1ccc(c(c1)Cl)Cl

STK547018
Synonyms: 2-(tert-butylamino)-2-oxoethylN'-cyano-N-prop-2-en-1-ylcarbamimidothioate
Smiles: C=CCN/C(=N\C#N)/SCC(=O)NC(C)(C)C

STK842995
Synonyms: (2E)-3-(3,4-dimethoxyphenyl)-N-[(2-iodophenyl)carbamothioyl]prop-2-enamide
Smiles: COc1cc(/C=C/C(=O)NC(=S)Nc2ccccc2I)ccc1OC

STK843000
Synonyms: N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N-(2-iodophenyl)methanesulfonamide
Smiles: OC(CN(S(=O)(=O)C)c1ccccc1I)Cn1c2ccccc2c2c1cccc2

STK843001
Synonyms: N-(3-chlorophenyl)-4-(morpholin-4-yl)quinazolin-2-amine
Smiles: Clc1cccc(c1)Nc1nc(N2CCOCC2)c2c(n1)cccc2

STK547038
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-naphthalen-1-ylmethylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1c1ccccc1)c1nonc1N)N/N=C/c1cccc2c1cccc2

STK843004
Synonyms: 2-ethoxyethyl{[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate
Smiles: CCOCCOC(=O)COc1ccc2c(c1)occ(c2=O)Oc1cc(C)c(c(c1)C)Cl

STK547046
Synonyms: methyl5-bromo-1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridine-3-carboxylate
Smiles: COC(=O)c1cc(Br)c(=O)n(c1)c1ccc(cc1)F

STK547050
Synonyms: 3-amino-N-(4-fluorophenyl)-6-(pyridin-3-yl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: Fc1ccc(cc1)NC(=O)c1sc2c(c1N)ccc(n2)c1cccnc1

STK547052
Synonyms: 3-[(2E)-2-(4-methoxy-3-nitrobenzylidene)hydrazinyl]-6-methyl-1,2,4-triazin-5(4H)-one
Smiles: COc1ccc(cc1[N+](=O)[O-])/C=N/Nc1nnc(c(=O)[nH]1)C

STK547057
Synonyms: (5Z)-5-(1H-indol-3-ylmethylidene)-3-(naphthalen-2-yl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C\c2c[nH]c3c2cccc3)/C(=O)N1c1ccc2c(c1)cccc2

STK547058
Synonyms: N-[(3-cyano-1,4,5,6,7,8-hexahydroazulen-2-yl)carbamothioyl]thiophene-2-carboxamide
Smiles: N#CC1=C(NC(=S)NC(=O)c2cccs2)CC2=C1CCCCC2

STK547060
Synonyms: 2-fluoro-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]benzamide
Smiles: Fc1ccccc1C(=O)NC1(N=C(NC1=O)c1ccccc1)C(F)(F)F

STK843011
Synonyms: 5-(4-methylphenyl)-N-[2-(morpholin-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
Smiles: Cc1ccc(cc1)c1csc2c1c(NCCN1CCOCC1)ncn2

STK843013
Synonyms: 2-[4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl]-N-phenylacetamide
Smiles: O=C(Cn1nc(c2ccc(cc2)Cl)c2c(c1=O)cccc2)Nc1ccccc1

STK547066
Synonyms: 4-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine
Smiles: COc1ccc2c(c1)c(c1csc(n1)NC)c(n2Cc1ccccc1)C

STK547068
Synonyms: (5Z)-5-[4-(octyloxy)benzylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=O)N(C1=O)c1ccccc1

STK547079
Synonyms: methyl3,3,3-trifluoro-N-[(2-methoxyphenyl)carbonyl]-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]alaninate
Smiles: COC(=O)C(C(F)(F)F)(NC(=O)c1ccccc1OC)Nc1sc2c(n1)c(C)ccc2

STK547081
Synonyms: 2-{[3-cyano-4-(4-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide
Smiles: CCOc1ccccc1NC(=O)CSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccc(cc1)F

STK843018
Synonyms: 2,4-diamino-6-(2-phenylethyl)pyridine-3,5-dicarbonitrile
Smiles: N#Cc1c(CCc2ccccc2)nc(c(c1N)C#N)N

STK547088
Synonyms: 1-[(4-chlorophenyl)amino]-2-(2-cyanoethyl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: N#CCCc1c(C)c(C#N)c2n(c1Nc1ccc(cc1)Cl)c1ccccc1n2

STK547099
Synonyms: (5Z)-5-[4-(prop-2-en-1-yloxy)benzylidene]-2-{[3-(trifluoromethyl)phenyl]amino}-1,3-thiazol-4(5H)-one
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=NC1=O)Nc1cccc(c1)C(F)(F)F

STK547107
Synonyms: methyl2-(acetylamino)-3,3,3-trifluoro-N-(6-methylpyridin-2-yl)alaninate
Smiles: COC(=O)C(C(F)(F)F)(Nc1cccc(n1)C)NC(=O)C

STK843025
Synonyms: 2-ethyl-1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1N1CCN(CC1)C(=O)c1ccco1)c1ccccc1n2

STK547116
Synonyms: 4-methoxy-2-(4-methoxyphenyl)quinazoline
Smiles: COc1nc(nc2c1cccc2)c1ccc(cc1)OC

STK547117
Synonyms: 1-[(2-hydroxyethyl)amino]-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonyl)anthracene-9,10-dione
Smiles: OCCNc1c(ccc2c1C(=O)c1ccccc1C2=O)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F

STK547118
Synonyms: 4-(3,6-dihydro-2H-pyran-4-ylmethoxy)-N-{(E)-[4-(nonyloxy)phenyl]methylidene}aniline
Smiles: CCCCCCCCCOc1ccc(cc1)/C=N/c1ccc(cc1)OCC1=CCOCC1

STK547121
Synonyms: (5Z)-2-[(2,3-dichlorophenyl)amino]-5-(4-ethoxy-3-methoxybenzylidene)-1,3-thiazol-4(5H)-one
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=NC1=O)Nc1cccc(c1Cl)Cl

STK547122
Synonyms: [(7-ethoxy-9-oxo-9H-fluoren-2-yl)oxy]aceticacid
Smiles: CCOc1ccc2c(c1)C(=O)c1c2ccc(c1)OCC(=O)O

STK843032
Synonyms: 5-(4-chlorophenyl)-3-hydroxy-4-[(4-methoxyphenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1ccc(cc1)C(=O)C1=C(O)C(=O)NC1c1ccc(cc1)Cl

STK843033
Synonyms: N-(3-acetylphenyl)-3-amino-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: O=C(c1sc2c(c1N)cc1c(n2)CCCC1=O)Nc1cccc(c1)C(=O)C

STK547124
Synonyms: 3-(4-ethylphenyl)-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Smiles: CCc1ccc(cc1)n1c(=S)[nH]c(c(c1=O)C1NCCc2c1cccc2)O

STK547128
Synonyms: N-(1,3-benzodioxol-5-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2c(c1=O)cccc2

STK843034
Synonyms: 2-methyl-N-(pyridin-3-ylmethyl)-5-(4-sulfanylphthalazin-1-yl)benzenesulfonamide
Smiles: Sc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)NCc1cccnc1)C

STK547138
Synonyms: methyl5-cyano-4-(4-methoxyphenyl)-2-oxo-6-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)OC)C#N)SCC(=O)Nc1ccccc1C(F)(F)F

STK843040
Synonyms: 2-{[3-cyano-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)C(C)C)NC2=C(C1c1cccs1)C(=O)CC(C2)(C)C

STK547158
Synonyms: N-benzyl-N-[3-(4-methoxyphenyl)-3-(4-methylphenyl)propyl]acetamide
Smiles: COc1ccc(cc1)C(c1ccc(cc1)C)CCN(C(=O)C)Cc1ccccc1

STK547159
Synonyms: N-[4-(dimethylamino)naphthalen-1-yl]-2-ethylbutanamide
Smiles: CCC(C(=O)Nc1ccc(c2c1cccc2)N(C)C)CC

STK547161
Synonyms: (1Z)-1-[(2E)-phthalazin-1(2H)-ylidenehydrazinylidene]-1,2-dihydrophthalazine
Smiles: c1ccc2c(c1)/c(=N/N=c\1/[nH]ncc3c1cccc3)/[nH]nc2

STK547168
Synonyms: 5-(3,4-dichlorophenyl)-3-(2-hydroxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1N(c2ccc(c(c2)Cl)Cl)C(=O)C2C1ON(C2c1ccccc1O)c1ccccc1

STK843048
Synonyms: benzyl9-oxo-9H-fluorene-3-carboxylate
Smiles: O=C(c1ccc2c(c1)c1ccccc1C2=O)OCc1ccccc1

STK843051
Synonyms: 7-(3-methyl-1H-pyrazol-1-yl)-3-phenyl-2H-chromen-2-one
Smiles: Cc1ccn(n1)c1ccc2c(c1)oc(=O)c(c2)c1ccccc1

STK843052
Synonyms: 3-butyl-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCCCn1cnc2c(c1=O)c(C)c(s2)C

STK843055
Synonyms: 2-ethoxyethyl{[3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate
Smiles: CCOCCOC(=O)COc1ccc2c(c1)occ(c2=O)Oc1ccccc1Cl

STK843056
Synonyms: 2-[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nc2CC(C)(C)CC(=O)c2cc1C#N

STK547188
Synonyms: N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-2H-pyran-5-carboxamide
Smiles: O=c1ccc(co1)C(=O)Nc1noc(c1)C

STK843057
Synonyms: 3a,6a-dimethyl-N-(4-nitrophenyl)hexahydro-1H-1,4-methanocyclopenta[c]furan-1-carboxamide
Smiles: O=C(C12OCC3(C2(C)CCC3C1)C)Nc1ccc(cc1)[N+](=O)[O-]

STK843063
Synonyms: [2-(4-chlorophenyl)-6-methylquinolin-4-yl](piperidin-1-yl)methanone
Smiles: Cc1ccc2c(c1)c(cc(n2)c1ccc(cc1)Cl)C(=O)N1CCCCC1

STK547194
Synonyms: 4-acetyl-5-(2,4-dimethoxyphenyl)-3-hydroxy-1-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1cc(OC)ccc1C1N(c2ccc(cc2)C)C(=O)C(=C1C(=O)C)O

STK843072
Synonyms: 2-[(2-chlorobenzyl)sulfanyl]-4-(4-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(SCc2ccccc2Cl)NC(=O)CC1c1ccc(cc1)F

STK547200
Synonyms: N-(4-{3-[(4-chlorophenyl)carbonyl]-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)N1C(=O)C(=C(C1c1ccccc1F)C(=O)c1ccc(cc1)Cl)O

STK843076
Synonyms: 2-[(pyridin-3-ylmethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: N#Cc1cc2CCCCc2nc1SCc1cccnc1

STK547209
Synonyms: 6-chloro-N-(3-methoxyphenyl)-2-methylquinolin-4-amine
Smiles: COc1cccc(c1)Nc1cc(C)nc2c1cc(Cl)cc2

STK547211
Synonyms: 5-methoxy-1,2-dimethyl-1H-benzo[g]indole-3-carboxylicacid
Smiles: COc1cc2c(c3c1cccc3)n(c(c2C(=O)O)C)C

STK547212
Synonyms: 2,7,8-trimethyl-3-(piperidin-1-ylmethyl)quinolin-4-ol
Smiles: Cc1nc2c(C)c(C)ccc2c(c1CN1CCCCC1)O

STK843082
Synonyms: N-(4-{[2-(2-fluorophenyl)quinazolin-4-yl]oxy}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccccc1F

STK843083
Synonyms: 2-(1-oxo-4-phenylphthalazin-2(1H)-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Cn1nc(c2ccccc2)c2c(c1=O)cccc2)Nc1cccc(c1)C(F)(F)F

STK843084
Synonyms: 3-(1-benzyl-1H-indol-3-yl)-1-phenylpyrrolidine-2,5-dione
Smiles: O=C1CC(C(=O)N1c1ccccc1)c1cn(c2c1cccc2)Cc1ccccc1

STK547214
Synonyms: (2Z)-2-{1-[(4-hydroxyphenyl)amino]ethylidene}-1-benzothiophen-3(2H)-one
Smiles: Oc1ccc(cc1)N/C(=C/1\Sc2c(C1=O)cccc2)/C

STK547217
Synonyms: 4-[4-(2-fluorophenoxy)-6-methyl-5-nitropyrimidin-2-yl]morpholine
Smiles: [O-][N+](=O)c1c(C)nc(nc1Oc1ccccc1F)N1CCOCC1

STK843087
Synonyms: N-(4-iodophenyl)-2-(4-nitrophenyl)quinazolin-4-amine
Smiles: Ic1ccc(cc1)Nc1nc(nc2c1cccc2)c1ccc(cc1)[N+](=O)[O-]

STK547221
Synonyms: 3-({5-[(4-ethoxyphenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoicacid
Smiles: CCOc1ccc(cc1)NC1SC(=O)N(C1=O)Cc1cccc(c1)C(=O)O

STK547224
Synonyms: pentyl3-(6-methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)propanoate
Smiles: CCCCCOC(=O)CCc1c(C)[nH]c(=S)[nH]c1=O

STK547226
Synonyms: ethyl6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-(thiophen-3-yl)-4H-pyran-3-carboxylate
Smiles: CCOC(=O)C1=C(CSc2nc3CCCCCc3cc2C#N)OC(=C(C1c1ccsc1)C#N)N

STK547227
Synonyms: N-[3-(4-methylpiperazin-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]thiophene-2-sulfonamide
Smiles: CN1CCN(CC1)C1=C(NS(=O)(=O)c2cccs2)C(=O)c2c(C1=O)cccc2

STK843092
Synonyms: 8-methyl-5-(1H-tetrazol-1-yl)quinoline
Smiles: Cc1ccc(c2c1nccc2)n1cnnn1

STK843093
Synonyms: propan-2-yl2,1,3-benzoxadiazole-5-carboxylate1-oxide
Smiles: CC(OC(=O)c1ccc2c(c1)no[n+]2[O-])C

STK547231
Synonyms: ethyl[(5-ethyl-4,6-dimethylpyrimidin-2-yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1nc(C)c(c(n1)C)CC

STK547232
Synonyms: propan-2-ylcyano[3-(dibutylamino)quinoxalin-2-yl]acetate
Smiles: CCCCN(c1nc2ccccc2nc1C(C(=O)OC(C)C)C#N)CCCC

STK843098
Synonyms: N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N-(naphthalen-1-yl)methanesulfonamide
Smiles: OC(CN(S(=O)(=O)C)c1cccc2c1cccc2)Cn1c2ccccc2c2c1cccc2

STK547248
Synonyms: prop-2-en-1-ylcyano[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetate
Smiles: C=CCOC(=O)C(c1nc2ccccc2nc1N1CCC(CC1)C)C#N

STK547252
Synonyms: N-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-methylbenzamide
Smiles: Cc1ccc(cc1)C(=O)NN1C(=S)S/C(=C\c2ccc(cc2)F)/C1=O

STK547256
Synonyms: N-(2-chlorophenyl)-2-{[3-cyano-4-(2-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2Cl)NC2=C(C1c1ccccc1F)C(=O)CCC2

STK843102
Synonyms: N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-4-chloro-N-(2,3-dimethylphenyl)benzenesulfonamide
Smiles: OC(CN(S(=O)(=O)c1ccc(cc1)Cl)c1cccc(c1C)C)Cn1c2ccccc2c2c1cccc2

STK843104
Synonyms: methyl4-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate
Smiles: COc1ccc(cc1)c1[nH]nc2c1C(c1ccc(cc1)C(=O)OC)C(=C(O2)N)C#N

STK843105
Synonyms: 3-amino-N-(3-chloro-2-methylphenyl)-4-(thiophen-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: Clc1cccc(c1C)NC(=O)c1sc2c(c1N)c(c1cccs1)c1c(n2)CCCC1

STK547264
Synonyms: 3-amino-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propan-1-one
Smiles: NCCC(=O)N1c2cc(ccc2Sc2c1cccc2)C(F)(F)F

STK843110
Synonyms: 2,7-bis(4-hydroxybutyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone
Smiles: OCCCCn1c(=O)c2ccc3c4c2c(c1=O)ccc4c(=O)n(c3=O)CCCCO

STK547269
Synonyms: N-[(5Z)-5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2-methoxybenzamide
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1OC

STK843114
Synonyms: 2-{[3-amino-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(1,3-benzothiazol-2-yl)acetamide
Smiles: O=C(Nc1nc2c(s1)cccc2)CSc1nc(C)cc(c1N)C(F)(F)F

STK547278
Synonyms: 11-(3-methylphenyl)-3-(1-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: Cc1cccc(c1)n1c2ncn(c(=O)c2c2c1nc1ccccc1n2)C(c1ccccc1)C

STK547280
Synonyms: 2-[(5-phenyl-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide
Smiles: NC(=O)CSc1nnc2n1c(nc1c2c2CCCc2s1)c1ccccc1

STK547281
Synonyms: 4,5-bis(4-chlorophenyl)-2-[4-(propan-2-yl)phenyl]-1H-imidazole
Smiles: Clc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)Cl)c1ccc(cc1)C(C)C

STK843116
Synonyms: 1-(5-chlorothiophen-2-yl)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone
Smiles: CCc1sc2c(c1)c(ncn2)SCC(=O)c1ccc(s1)Cl

STK843119
Synonyms: 2-{[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Smiles: COc1ccc(cc1)c1ccc(c(n1)SCC(=O)Nc1sc2c(c1C#N)CCCC2)C#N

STK843126
Synonyms: 4-acetyl-5-(2-fluorophenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Smiles: CC(=O)C1=C(O)C(=O)NC1c1ccccc1F

STK547292
Synonyms: (5Z)-3-methyl-5-[4-(octyloxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)C

STK547298
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(1E)-1-[4-(benzyloxy)phenyl]ethylidene}-5-(methoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COCc1c(nnn1c1nonc1N)C(=O)N/N=C(/c1ccc(cc1)OCc1ccccc1)\C

STK843131
Synonyms: [3-amino-4-(thiophen-2-yl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridin-2-yl](4-methylphenyl)methanone
Smiles: Cc1ccc(cc1)C(=O)c1sc2c(c1N)c(c1cccs1)c1c(n2)CCC1

STK547305
Synonyms: 2-[(pyridin-3-ylmethyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Smiles: N#Cc1cc2CCCc2nc1SCc1cccnc1

STK843136
Synonyms: diethyl4-[(3-acetylphenyl)amino]quinoline-3,6-dicarboxylate
Smiles: CCOC(=O)c1cnc2c(c1Nc1cccc(c1)C(=O)C)cc(cc2)C(=O)OCC

STK547310
Synonyms: 1-ethyl-4-(4-methylpiperazin-1-yl)-3-nitroquinolin-2(1H)-one
Smiles: CCn1c2ccccc2c(c(c1=O)[N+](=O)[O-])N1CCN(CC1)C

STK843138
Synonyms: methyl4-[(7-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)Cn1cnc2c(c1=O)c1CCC(Cc1s2)C

STK547316
Synonyms: 2-[2-(2-ethoxyphenoxy)ethyl]-7,8-dimethoxyphthalazin-1(2H)-one
Smiles: CCOc1ccccc1OCCn1ncc2c(c1=O)c(OC)c(cc2)OC

STK547318
Synonyms: 2-(4-cyclohexylpiperazin-1-yl)-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN1CCN(CC1)C1CCCCC1)c([nH]2)C

STK547319
Synonyms: 2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-cyano-N-(1-phenylethyl)acetamide
Smiles: N#CC(c1nc2ccccc2nc1N1CCN(CC1)Cc1ccccc1)C(=O)NC(c1ccccc1)C

STK547324
Synonyms: (5Z)-3-[4-(diethylamino)phenyl]-5-[4-(prop-2-en-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)N(CC)CC

STK547330
Synonyms: methyl5-methyl-3-[(thiophen-2-ylcarbonyl)amino]-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1cccs1)cc(cc2)C

STK843146
Synonyms: 2-ethyl-6,6-dimethyl-4-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCCSc1nc(CC)nc2c1c1CC(C)(C)OCc1s2

STK547332
Synonyms: 4-(naphthalen-1-yl)-5-(thiophen-2-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: S=c1[nH]nc(n1c1cccc2c1cccc2)Cc1cccs1

STK547334
Synonyms: 1-(4-bromophenyl)-2-[(2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone
Smiles: CCc1nc(SCC(=O)c2ccc(cc2)Br)c2c(n1)sc1c2CCCC1

STK843149
Synonyms: N~4~-[4-chloro-2-(phenylcarbonyl)phenyl]-N~5~-phenyl-1H-imidazole-4,5-dicarboxamide
Smiles: Clc1ccc(c(c1)C(=O)c1ccccc1)NC(=O)c1nc[nH]c1C(=O)Nc1ccccc1

STK547342
Synonyms: (5Z)-3-(4-methoxyphenyl)-5-[4-(octyloxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)OC

STK547347
Synonyms: 2-[(2-{4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl}hydrazinyl)carbonyl]benzoicacid
Smiles: CCC(=O)Nc1ccc(cc1)c1csc(n1)NNC(=O)c1ccccc1C(=O)O

STK547351
Synonyms: N-(4-chlorophenyl)-4-{[2-(pyridin-4-yl)quinazolin-4-yl]oxy}benzamide
Smiles: Clc1ccc(cc1)NC(=O)c1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccncc1

STK843153
Synonyms: 2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]-N-(furan-2-ylmethyl)acetamide
Smiles: O=C(Cn1cnc2c(c1=O)c(cs2)c1ccc(cc1)Cl)NCc1ccco1

STK843156
Synonyms: 1-[(E)-{[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3-thiazol-2-yl]imino}methyl]naphthalen-2-ol
Smiles: Oc1ccc2c(c1/C=N/c1scc(n1)C13CC4CC(C3)CC(C1)C4)cccc2

STK843157
Synonyms: 4-{methyl[(4-methylphenyl)sulfonyl]amino}-N-(naphthalen-1-yl)butanamide
Smiles: O=C(Nc1cccc2c1cccc2)CCCN(S(=O)(=O)c1ccc(cc1)C)C

STK547372
Synonyms: 3,4,5-trimethoxy-N'-(3,3,6,7-tetramethyl-3,4-dihydroisoquinolin-1-yl)benzohydrazide
Smiles: COc1cc(cc(c1OC)OC)C(=O)NNC1=NC(C)(C)Cc2c1cc(C)c(c2)C

STK547374
Synonyms: (5Z)-5-(2,4-dimethoxybenzylidene)-2-[(2-methylphenyl)amino]-1,3-thiazol-4(5H)-one
Smiles: COc1cc(OC)ccc1/C=C/1\SC(=NC1=O)Nc1ccccc1C

STK843161
Synonyms: 3,4-difluoro-N-{[2-(furan-2-ylcarbonyl)hydrazinyl]carbonothioyl}benzamide
Smiles: S=C(NC(=O)c1ccc(c(c1)F)F)NNC(=O)c1ccco1

STK843163
Synonyms: 2-amino-7,9-dimethyl-4-(pyridin-4-yl)-4H-pyrano[2',3':4,5]thieno[2,3-b]pyridine-3-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccncc1)sc1c2c(C)cc(n1)C

STK843165
Synonyms: propan-2-yl[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetate
Smiles: N#Cc1cc2CCCCCc2nc1SCC(=O)OC(C)C

STK547389
Synonyms: 5-{4-[(4-chlorophenyl)amino]phthalazin-1-yl}-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
Smiles: Clc1ccc(cc1)Nc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)NCc1cccnc1)C

STK843167
Synonyms: 3-amino-N-(3-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: COc1cccc(c1)NC(=O)c1sc2c(c1N)c(c1ccc(cc1)C)c1c(n2)CCCC1

STK547392
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-{(E)-[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2CN(CC)CC)c2nonc2N)ccc1Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

STK843168
Synonyms: 2-[4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: Clc1ccc(cc1)c1nn(CC(=O)Nc2cccc(c2)C(F)(F)F)c(=O)c2c1cccc2

STK547396
Synonyms: 3-hexyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Smiles: CCCCCCn1c(=S)[nH]c(c(c1=O)C1NCCc2c1cccc2)O

STK547399
Synonyms: N-(4-{[(3-chloro-4-ethoxybenzyl)oxy]sulfamoyl}phenyl)acetamide
Smiles: CCOc1ccc(cc1Cl)CONS(=O)(=O)c1ccc(cc1)NC(=O)C

STK547406
Synonyms: N'-(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)-N,N-diethylethane-1,2-diamine
Smiles: CCN(CCNc1ncnc2c1[nH]c1c2cc(cc1)Br)CC

STK547407
Synonyms: ethyl6-chloro-8-methyl-4-(4-methylpiperazin-1-yl)quinoline-3-carboxylate
Smiles: CCOC(=O)c1cnc2c(c1N1CCN(CC1)C)cc(cc2C)Cl

STK843171
Synonyms: dimethyl2-{[(3,5-dimethoxyphenyl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Smiles: COC(=O)C1CCc2c1c(C(=O)OC)c(s2)NC(=O)c1cc(OC)cc(c1)OC

STK843177
Synonyms: 4-[(2,6-dimethylmorpholin-4-yl)methyl]-3-hydroxy-6H-benzo[c]chromen-6-one
Smiles: CC1CN(CC(O1)C)Cc1c(O)ccc2c1oc(=O)c1c2cccc1

STK547419
Synonyms: 5-oxo-5-[(1-phenyl-1H-pyrazol-3-yl)amino]-2-propylpentanoicacid
Smiles: CCCC(C(=O)O)CCC(=O)Nc1ccn(n1)c1ccccc1

STK547423
Synonyms: (5Z)-3-(3,5-dichlorophenyl)-5-[4-(octyloxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1cc(Cl)cc(c1)Cl

STK547424
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-5-[(phenylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1cccc(c1O)/C=N/NC(=O)c1nnn(c1CNc1ccccc1)c1nonc1N

STK547425
Synonyms: prop-2-en-1-ylcyano[3-(piperidin-1-yl)quinoxalin-2-yl]acetate
Smiles: C=CCOC(=O)C(c1nc2ccccc2nc1N1CCCCC1)C#N

STK843181
Synonyms: N-(2-hydroxyethyl)-2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide
Smiles: OCCNS(=O)(=O)c1cc(ccc1C)c1nn(C)c(=O)c2c1cccc2

STK547427
Synonyms: (3-chloroquinoxalin-2-yl)(4-methoxyphenyl)acetonitrile
Smiles: N#CC(c1nc2ccccc2nc1Cl)c1ccc(cc1)OC

STK843182
Synonyms: 2-[(3-methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: COc1cccc(c1)CSc1nc2CCCCc2cc1C#N

STK547430
Synonyms: 2-[(4-amino-6,8-diphenyl-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Smiles: NC(=O)CSc1nc(N)c2c(n1)sc1c2CC(SC1c1ccccc1)c1ccccc1

STK547436
Synonyms: thiomorpholin-3-one
Smiles: O=C1CSCCN1

STK547439
Synonyms: (5Z)-3-(2,4-dimethylphenyl)-5-[4-(prop-2-en-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1ccc(cc1C)C

STK547443
Synonyms: 1-[(2-methylpiperidin-1-yl)methyl]naphthalen-2-ol
Smiles: CC1CCCCN1Cc1c(O)ccc2c1cccc2

STK547450
Synonyms: 2-{4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(methoxymethyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2-ethoxyphenoxy}acetamide
Smiles: COCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(c(c1)OCC)OCC(=O)N

STK547453
Synonyms: 1-(3-methyl-6-nitro-1,4-dioxidoquinoxalin-2-yl)ethanone
Smiles: [O-][N+](=O)c1ccc2c(c1)[n+]([O-])c(c([n+]2[O-])C(=O)C)C

STK547457
Synonyms: 4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoicacid
Smiles: OC(=O)c1ccc(cc1)Nc1ncnc2c1c(cs2)c1ccccc1

STK547463
Synonyms: (3aR,4S,9aR,9bS)-4-[(4-chlorophenyl)carbonyl]-2-phenyl-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione
Smiles: Clc1ccc(cc1)C(=O)[C@H]1N2C=CC(=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1)C(=O)c1ccccc1

STK547464
Synonyms: (5Z)-3-(2,3-dimethylphenyl)-5-[4-(octyloxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1cccc(c1C)C

STK843191
Synonyms: 3-amino-N-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: O=C(c1sc2c(c1N)cc1c(n2)CCCC1=O)Nc1ccc(cc1)[N+](=O)[O-]

STK843195
Synonyms: N-(4-methoxyphenyl)-4-methyl-6-nitroquinolin-2-amine
Smiles: COc1ccc(cc1)Nc1cc(C)c2c(n1)ccc(c2)[N+](=O)[O-]

STK843197
Synonyms: 6-amino-3-{[(4-methylphenyl)sulfanyl]methyl}-4-(propan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1C(C)C)c(CSc1ccc(cc1)C)[nH]n2

STK843199
Synonyms: ethyl4-(2-chlorophenyl)-5-cyano-6-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)N1CCCc2c1cccc2

STK547478
Synonyms: N-[(2-amino-5-phenylthiophen-3-yl)carbonyl]glycine
Smiles: OC(=O)CNC(=O)c1cc(sc1N)c1ccccc1

STK843201
Synonyms: 4-{[2-(4-nitrophenyl)quinazolin-4-yl]amino}phenol
Smiles: Oc1ccc(cc1)Nc1nc(nc2c1cccc2)c1ccc(cc1)[N+](=O)[O-]

STK547479
Synonyms: 3-amino-4-(thiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
Smiles: NC(=O)c1sc2c(c1N)c(c1cccs1)c1c(n2)CCCCC1

STK843202
Synonyms: 1-(butan-2-yl)-3-hydroxy-4-methyl-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
Smiles: CCC(n1nc(c2c1[nH]c(=O)cc2C)O)C

STK547480
Synonyms: 2-methoxyethylcyano{3-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl}acetate
Smiles: COCCOC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)c1ccccc1OC)C#N

STK843203
Synonyms: N-(5-{[(2-chlorophenyl)carbamoyl]amino}-4-methyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
Smiles: O=C(Nc1ccccc1Cl)Nc1sc(nc1C)NS(=O)(=O)c1ccc(cc1)C

STK547486
Synonyms: N-[(E)-(3,4,5-trichlorothiophen-2-yl)methylidene]naphthalen-2-amine
Smiles: Clc1c(Cl)sc(c1Cl)/C=N/c1ccc2c(c1)cccc2

STK547490
Synonyms: 3-(4-benzylpiperazin-1-yl)-4-chloro-1-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dione
Smiles: ClC1=C(N2CCN(CC2)Cc2ccccc2)C(=O)N(C1=O)c1cccc(c1Cl)Cl

STK547504
Synonyms: 4-{(2E)-2-[4-(benzyloxy)benzylidene]hydrazinyl}pyrimidin-2(1H)-one
Smiles: O=c1[nH]ccc(n1)N/N=C/c1ccc(cc1)OCc1ccccc1

STK843211
Synonyms: 2-(1H-benzotriazol-1-yl)-1,2-diphenylethanone
Smiles: O=C(C(n1nnc2c1cccc2)c1ccccc1)c1ccccc1

STK843213
Synonyms: (5Z)-3-(3-methoxyphenyl)-5-(pyridin-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1cccc(c1)N1C(=S)S/C(=C\c2ccncc2)/C1=O

STK547512
Synonyms: 3-amino-N-(2-fluorophenyl)-6-(pyridin-3-yl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: O=C(c1sc2c(c1N)ccc(n2)c1cccnc1)Nc1ccccc1F

STK843219
Synonyms: methyl5-{[(2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]methyl}furan-2-carboxylate
Smiles: COC(=O)c1ccc(o1)CSc1[nH]c(nc1[N+](=O)[O-])C

STK843220
Synonyms: methylN-[2-(pyridin-4-yl)quinazolin-4-yl]glycinate
Smiles: COC(=O)CNc1nc(nc2c1cccc2)c1ccncc1

STK547522
Synonyms: {benzene-1,4-diylbis[oxy(3-hydroxybutane-4,1-diyl)piperazine-4,1-diyl]}bis(phenylmethanone)
Smiles: OC(COc1ccc(cc1)OCC(CCN1CCN(CC1)C(=O)c1ccccc1)O)CCN1CCN(CC1)C(=O)c1ccccc1

STK547525
Synonyms: ethyl(2-amino-6H-1,3,4-thiadiazin-5-yl)acetate
Smiles: CCOC(=O)CC1=NN=C(SC1)N

STK843222
Synonyms: ethyl7,8-dichloro-4-[(2-hydroxypropyl)amino]quinoline-3-carboxylate
Smiles: CC(CNc1c(cnc2c1ccc(c2Cl)Cl)C(=O)OCC)O

STK843223
Synonyms: N-(4-bromophenyl)-N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]methanesulfonamide
Smiles: OC(CN(S(=O)(=O)C)c1ccc(cc1)Br)Cn1c2ccccc2c2c1cccc2

STK843224
Synonyms: 3-amino-4-(4-methylphenyl)-N-(4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
Smiles: Cc1ccc(cc1)c1c2CCCc2nc2c1c(N)c(s2)C(=O)Nc1ccc(cc1)[N+](=O)[O-]

STK547528
Synonyms: prop-2-en-1-yl4-[4-(benzyloxy)-3-methoxyphenyl]-5-cyano-2-methyl-6-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)OCc1ccccc1)C#N)SCC(=O)Nc1ccc(cc1)C

STK547539
Synonyms: methyl5-bromo-1-(4-methoxyphenyl)-6-oxo-1,6-dihydropyridine-3-carboxylate
Smiles: COc1ccc(cc1)n1cc(cc(c1=O)Br)C(=O)OC

STK547543
Synonyms: propan-2-yl2-amino-1-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: COc1ccc(cc1)n1c2nc3ccccc3nc2c(c1N)C(=O)OC(C)C

STK547545
Synonyms: 2-{3-[(8aR)-6-amino-5,7,7-tricyano-3,7,8,8a-tetrahydro-1H-isochromen-8-yl]phenoxy}acetamide
Smiles: N#CC1=C(N)C(C([C@@H]2C1=CCOC2)c1cccc(c1)OCC(=O)N)(C#N)C#N

STK843226
Synonyms: 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Smiles: O=C(Nc1nccs1)CSc1nnc(o1)CSc1nc(C)cc(n1)C

STK843229
Synonyms: [3-amino-4-(furan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridin-2-yl](4-methylphenyl)methanone
Smiles: Cc1ccc(cc1)C(=O)c1sc2c(c1N)c(c1ccco1)c1c(n2)CCCCC1

STK547548
Synonyms: 3-amino-6-(4-methoxyphenyl)-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1ccc(cc1)c1ccc2c(n1)sc(c2N)C(=O)NCCc1ccccc1

STK843230
Synonyms: ethyl4-[(2-ethoxyphenyl)amino]-6-methylquinoline-3-carboxylate
Smiles: CCOC(=O)c1cnc2c(c1Nc1ccccc1OCC)cc(cc2)C

STK843231
Synonyms: N-(2-methoxyethyl)-2-(1-oxo-4-phenylphthalazin-2(1H)-yl)acetamide
Smiles: COCCNC(=O)Cn1nc(c2ccccc2)c2c(c1=O)cccc2

STK547552
Synonyms: (3aS,6aS)-3-[(4-nitrophenyl)carbonyl]-5-[2-(trifluoromethyl)phenyl]-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Smiles: O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1C(F)(F)F)NN=C2C(=O)c1ccc(cc1)[N+](=O)[O-]

STK547560
Synonyms: methyl5-bromo-6-oxo-1-[2-(pyrrolidin-1-yl)ethyl]-1,6-dihydropyridine-3-carboxylate
Smiles: COC(=O)c1cn(CCN2CCCC2)c(=O)c(c1)Br

STK547561
Synonyms: (quinolin-8-ylsulfanyl)aceticacid
Smiles: OC(=O)CSc1cccc2c1nccc2

STK547568
Synonyms: N~2~-(6-nitro-4-phenylquinazolin-2-yl)glycinamide
Smiles: NC(=O)CNc1nc2ccc(cc2c(n1)c1ccccc1)[N+](=O)[O-]

STK843236
Synonyms: 3-amino-4-(furan-2-yl)-N-(4-nitrophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: [O-][N+](=O)c1ccc(cc1)NC(=O)c1sc2c(c1N)c(c1ccco1)c1c(n2)CCCC1

STK547572
Synonyms: (3aR,4S,9aR,9bS)-4-[(3-bromo-4-methoxyphenyl)carbonyl]-2-(2-methoxy-5-nitrophenyl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione
Smiles: COc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=C(C=C1)C(=O)c1ccccc1)C(=O)c1ccc(c(c1)Br)OC)[N+](=O)[O-]

STK547573
Synonyms: methyl5-bromo-1-(2-methoxyphenyl)-6-oxo-1,6-dihydropyridine-3-carboxylate
Smiles: COC(=O)c1cc(Br)c(=O)n(c1)c1ccccc1OC

STK843237
Synonyms: 3-methyl-7-(3-phenylpropyl)-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=c1[nH]c(=O)n(c2c1n(CCCc1ccccc1)c(n2)N1CCCCC1)C

STK547574
Synonyms: 2-[(5Z)-5-(1H-indol-3-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoicacid
Smiles: CCC(N1C(=S)S/C(=C\c2c[nH]c3c2cccc3)/C1=O)C(=O)O

STK547581
Synonyms: N-{3-[(3,4-dimethoxyphenyl)amino]-1,4-dioxo-1,4-dihydronaphthalen-2-yl}acetamide
Smiles: COc1cc(ccc1OC)NC1=C(NC(=O)C)C(=O)c2c(C1=O)cccc2

STK547582
Synonyms: 4-{3-(4-chlorophenyl)-1-[(4-methylphenyl)sulfonyl]-4,5-dihydro-1H-pyrazol-5-yl}-N,N-dimethylaniline
Smiles: Cc1ccc(cc1)S(=O)(=O)N1N=C(CC1c1ccc(cc1)N(C)C)c1ccc(cc1)Cl

STK843239
Synonyms: 3-(2,5-dimethylphenoxy)-7-ethoxy-4H-chromen-4-one
Smiles: CCOc1ccc2c(c1)occ(c2=O)Oc1cc(C)ccc1C

STK843240
Synonyms: 3-amino-4-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
Smiles: Clc1ccc(cc1)c1c2CCCCCc2nc2c1c(N)c(s2)C(=O)Nc1nccs1

STK547588
Synonyms: N-[2-({(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl}carbonyl)phenyl]-3,4-dimethoxybenzamide
Smiles: COc1cc(ccc1OC)C(=O)Nc1ccccc1C(=O)N/N=C(/c1ccccc1O)\C

STK547594
Synonyms: 2-(diethylamino)ethyl4-({[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetyl}amino)benzoate
Smiles: CCN(CCOC(=O)c1ccc(cc1)NC(=O)CSc1nc2ccccc2c(=O)[nH]1)CC

STK547601
Synonyms: N-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-nitrobenzamide
Smiles: Fc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)[N+](=O)[O-]

STK843248
Synonyms: (5Z)-3-[4-(diethylamino)phenyl]-5-(2,4-dimethoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCN(c1ccc(cc1)N1C(=S)S/C(=C\c2ccc(cc2OC)OC)/C1=O)CC

STK843249
Synonyms: 3-hydroxy-4-[(4-methoxyphenyl)carbonyl]-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1ccc(cc1)C(=O)C1=C(O)C(=O)NC1c1ccc(cc1)C

STK843251
Synonyms: 4-acetyl-5-(2-fluorophenyl)-3-hydroxy-1-(pyridin-3-ylmethyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: CC(=O)C1=C(O)C(=O)N(C1c1ccccc1F)Cc1cccnc1

STK547612
Synonyms: 2-[(2-ethyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N-phenylacetamide
Smiles: CCc1nc(SCC(=O)Nc2ccccc2)c2c(n1)sc1c2CC(OC1)(C)C

STK843254
Synonyms: 1-phenyl-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)ethanone
Smiles: O=C(c1ccccc1)CSc1ncnc2c1c1CCCCc1s2

STK547615
Synonyms: 11-(furan-2-ylmethyl)-3-(3-methylphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: Cc1cccc(c1)n1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccco1

STK843257
Synonyms: 2-(3-methylphenyl)quinazolin-4-ol
Smiles: Cc1cccc(c1)c1nc(O)c2c(n1)cccc2

STK547622
Synonyms: 3-amino-6-oxo-2-(phenylcarbonyl)-6,7-dihydrothieno[2,3-b]pyridine-5-carboxylicacid
Smiles: O=C(c1sc2c(c1N)cc(c(=O)[nH]2)C(=O)O)c1ccccc1

STK843262
Synonyms: 2-{[3-cyano-4-(furan-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N,N-diphenylacetamide
Smiles: N#CC1=C(SCC(=O)N(c2ccccc2)c2ccccc2)NC(=O)CC1c1ccco1

STK547635
Synonyms: N,N-diethyl-N'-(6-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
Smiles: CCN(CCNc1ncnc2c1c1CC(C)CCc1s2)CC

STK547640
Synonyms: (3Z)-3-[(4-methoxyphenyl)imino]-1-[(4-methylpiperidin-1-yl)methyl]-1,3-dihydro-2H-indol-2-one
Smiles: COc1ccc(cc1)/N=C\1/c2ccccc2N(C1=O)CN1CCC(CC1)C

STK843265
Synonyms: 2-{[2-(3-methylphenyl)quinazolin-4-yl]amino}ethanol
Smiles: OCCNc1nc(nc2c1cccc2)c1cccc(c1)C

STK843266
Synonyms: 4-(4-chlorophenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phthalazin-1(2H)-one
Smiles: CN1CCN(CC1)C(=O)Cn1nc(c2ccc(cc2)Cl)c2c(c1=O)cccc2

STK547648
Synonyms: (5Z)-3-(3-methoxyphenyl)-5-[4-(prop-2-en-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1cccc(c1)OC

STK547649
Synonyms: 1-(2-hydroxyethyl)-2-imino-5-oxo-N-(tetrahydrofuran-2-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Smiles: OCCn1c(=N)c(cc2c1nc1ccccn1c2=O)C(=O)NCC1CCCO1

STK843267
Synonyms: 2-(2-fluorophenyl)-4-(pyrrolidin-1-yl)quinazoline
Smiles: Fc1ccccc1c1nc2ccccc2c(n1)N1CCCC1

STK547652
Synonyms: 6-(4-ethylphenyl)-2-phenylpyridazin-3(2H)-one
Smiles: CCc1ccc(cc1)c1ccc(=O)n(n1)c1ccccc1

STK843270
Synonyms: ethyl6,8-dichloro-4-[(3-hydroxypropyl)amino]quinoline-3-carboxylate
Smiles: OCCCNc1c(cnc2c1cc(Cl)cc2Cl)C(=O)OCC

STK843271
Synonyms: 3-amino-N-(2-methylphenyl)-4-(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
Smiles: Cc1ccc(cc1)c1c2CCCc2nc2c1c(N)c(s2)C(=O)Nc1ccccc1C

STK843279
Synonyms: 4-(3,4-dimethylphenoxy)-1-methyl[1,2,4]triazolo[4,3-a]quinoxaline
Smiles: Cc1cc(ccc1C)Oc1nc2ccccc2n2c1nnc2C

STK547664
Synonyms: N'-{[2-(thiophen-2-yl)acetyl]oxy}pyridine-4-carboximidamide
Smiles: O=C(Cc1cccs1)O/N=C(/c1ccncc1)\N

STK547665
Synonyms: 2-{[6-amino-3,5-dicyano-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(cc2)OC)nc(c(c1c1cccs1)C#N)N

STK843282
Synonyms: 5,6-dimethyl-2-(prop-2-yn-1-ylsulfanyl)thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: C#CCSc1[nH]c(=O)c2c(n1)sc(c2C)C

STK843283
Synonyms: 4-[(3,5-dimethylpiperidin-1-yl)carbonyl]-9H-fluoren-9-one
Smiles: CC1CC(C)CN(C1)C(=O)c1cccc2c1c1ccccc1C2=O

STK843284
Synonyms: 3-amino-N-(4-methoxyphenyl)-4-(thiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1sc2c(c1N)c(c1cccs1)c1c(n2)CCCCC1

STK547672
Synonyms: 4-(ethylsulfanyl)-6,6-dimethyl-2-phenyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCSc1nc(nc2c1c1CC(C)(C)OCc1s2)c1ccccc1

STK843285
Synonyms: 3-chloro-6-fluoro-N-[(4-sulfamoylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide
Smiles: S=C(NC(=O)c1sc2c(c1Cl)ccc(c2)F)Nc1ccc(cc1)S(=O)(=O)N

STK547675
Synonyms: (5Z)-3-(2-ethoxyphenyl)-5-[4-(octyloxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1ccccc1OCC

STK547684
Synonyms: N-[1-(1H-benzimidazol-2-yl)butyl]-2-methylbenzamide
Smiles: CCCC(c1nc2c([nH]1)cccc2)NC(=O)c1ccccc1C

STK843290
Synonyms: N-(2,4-dichlorophenyl)-2-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1Cl)Cl)CSc1nc2ccccc2c(=O)[nH]1

STK547685
Synonyms: 4-ethyl-9,10-diphenyl-2,6-di(propan-2-yl)hexahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone
Smiles: CCC12C3C(=O)N(C(=O)C3C(C3C1C(=O)N(C3=O)C(C)C)C(=C2c1ccccc1)c1ccccc1)C(C)C

STK843291
Synonyms: methylcyano{3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl}acetate
Smiles: N#CC(c1nc2ccccc2nc1N1CCN(CC1)c1ccc(cc1)F)C(=O)OC

STK843292
Synonyms: 3-(3-chlorobenzyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CC1CCc2c(C1)sc1c2c(=O)n(cn1)Cc1cccc(c1)Cl

STK843295
Synonyms: 2-(3-chloro-1-benzothiophen-2-yl)-5-(prop-2-yn-1-ylsulfanyl)-1,3,4-oxadiazole
Smiles: C#CCSc1nnc(o1)c1sc2c(c1Cl)cccc2

STK547693
Synonyms: methyl5-chloro-3-{[3-(4-methylpiperidin-1-yl)propanoyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCC(CC1)C)cc(cc2)Cl

STK843298
Synonyms: diethyl4-[(2-methoxy-5-methylphenyl)amino]quinoline-3,6-dicarboxylate
Smiles: CCOC(=O)c1ccc2c(c1)c(Nc1cc(C)ccc1OC)c(cn2)C(=O)OCC

STK843301
Synonyms: 2-[4-(4-methylphenyl)-1-oxophthalazin-2(1H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: Cc1ccc(cc1)c1nn(CC(=O)Nc2cccc(c2)C(F)(F)F)c(=O)c2c1cccc2

STK843302
Synonyms: 3-amino-N-(2-ethylphenyl)-4-(furan-2-yl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
Smiles: CCc1ccccc1NC(=O)c1sc2c(c1N)c(c1ccco1)c1c(n2)CCC1

STK843304
Synonyms: 3-amino-N-(4-bromophenyl)-4-(furan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
Smiles: Brc1ccc(cc1)NC(=O)c1sc2c(c1N)c(c1ccco1)c1c(n2)CCCCC1

STK547708
Synonyms: 4-{(5Z)-4-oxo-5-[4-(prop-2-en-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}butanoicacid
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCCC(=O)O

STK547721
Synonyms: 2-methylbenzylN'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate
Smiles: N#C/N=C(/Nc1cccc(c1)C(F)(F)F)\SCc1ccccc1C

STK547735
Synonyms: 4-methoxy-2-(pyridin-4-yl)quinazoline
Smiles: COc1nc(nc2c1cccc2)c1ccncc1

STK547737
Synonyms: 3-(dimethylamino)-1-phenylpropan-1-ol
Smiles: OC(c1ccccc1)CCN(C)C

STK547739
Synonyms: ethyl1-[4-(acetylamino)phenyl]-4-{[4-(acetylamino)phenyl]amino}-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-2-carboxylate
Smiles: CCOC(=O)C1(C)C=C(C(=O)N1c1ccc(cc1)NC(=O)C)Nc1ccc(cc1)NC(=O)C

STK843312
Synonyms: 2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: CCOc1cc(ccc1O)C1CC(=O)NC(=C1C#N)SCC(=O)Nc1cccc(c1)C(F)(F)F

STK843314
Synonyms: 3,4-difluoro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
Smiles: S=C(NC(=O)c1ccc(c(c1)F)F)Nc1ccc(cc1)S(=O)(=O)N

STK547743
Synonyms: 2-{[(tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl)amino]methyl}phenol
Smiles: Oc1ccccc1CNCC12CC3CC(C2)CC(C1)C3

STK547744
Synonyms: 3-fluorobenzylN'-cyano-N-(4-fluorophenyl)carbamimidothioate
Smiles: N#C/N=C(/Nc1ccc(cc1)F)\SCc1cccc(c1)F

STK547746
Synonyms: 4-(methylsulfanyl)-2-phenyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidine
Smiles: CSc1nc(nc2c1c1CCCc1s2)c1ccccc1

STK547749
Synonyms: 4-[(5Z)-5-(2,4-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoicacid
Smiles: COc1ccc(c(c1)OC)/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)C(=O)O

STK843316
Synonyms: N-[(1E,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-4-(naphthalen-1-ylmethyl)piperazin-1-amine
Smiles: COc1ccccc1/C=C/C=N/N1CCN(CC1)Cc1cccc2c1cccc2

STK843318
Synonyms: 6-bromo-2-methyl-3-(morpholin-4-ylmethyl)quinolin-4(1H)-one
Smiles: Cc1[nH]c2ccc(cc2c(=O)c1CN1CCOCC1)Br

STK843319
Synonyms: 3-amino-4-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
Smiles: Clc1ccc(cc1)c1c2CCCCCc2nc2c1c(N)c(s2)C(=O)N

STK843321
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(2-hydroxyphenyl)ethylidene]-5-methyl-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1C)c1nonc1N)N/N=C(/c1ccccc1O)\C

STK547760
Synonyms: N-[1-(1H-benzimidazol-2-yl)butyl]-2-chlorobenzamide
Smiles: CCCC(c1nc2c([nH]1)cccc2)NC(=O)c1ccccc1Cl

STK547767
Synonyms: 4-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoicacid
Smiles: Fc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)C(=O)O

STK547771
Synonyms: 5-cyano-2-methyl-N-(2-methylphenyl)-6-({2-[(4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)[N+](=O)[O-])NC(=C(C1c1cccs1)C(=O)Nc1ccccc1C)C

STK547776
Synonyms: 1-(3,5-dimethylpiperidin-1-yl)-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: N#Cc1c2nc3c(n2c(cc1C(F)(F)F)N1CC(C)CC(C1)C)cccc3

STK843328
Synonyms: 2-methyl-4-[4-(morpholin-4-yl)-3-nitrophenyl]phthalazin-1(2H)-one
Smiles: [O-][N+](=O)c1cc(ccc1N1CCOCC1)c1nn(C)c(=O)c2c1cccc2

STK843331
Synonyms: 6-bromo-N-cyclopropyl-2-(2,5-dimethylphenyl)quinoline-4-carboxamide
Smiles: Brc1ccc2c(c1)c(cc(n2)c1cc(C)ccc1C)C(=O)NC1CC1

STK547787
Synonyms: ethyl4-{[3-(4-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC1SC(=O)N(C1=O)Cc1ccc(cc1)[N+](=O)[O-]

STK843333
Synonyms: 3-amino-4-(furan-2-yl)-N-(3-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: COc1cccc(c1)NC(=O)c1sc2c(c1N)c(c1ccco1)c1c(n2)CCCC1

STK547796
Synonyms: 6-hydroxy-2-[(4-phenylpiperazin-1-yl)methyl]pyridazin-3(2H)-one
Smiles: Oc1ccc(=O)n(n1)CN1CCN(CC1)c1ccccc1

STK843340
Synonyms: 2-{[3-cyano-4-(4-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Smiles: COc1cccc(c1)NC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(cc1)F

STK843341
Synonyms: 4-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]-1-methyl[1,2,4]triazolo[4,3-a]quinoxaline
Smiles: C=CCc1ccc(c(c1)OC)Oc1nc2ccccc2n2c1nnc2C

STK843342
Synonyms: ethyl4-[(4-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylate
Smiles: CCOC(=O)c1[nH]cnc1C(=O)Nc1ccc(cc1)Cl

STK547813
Synonyms: ethyl5-hydroxy-2-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(CN2CCCCC2)oc2c1cc(O)cc2

STK547817
Synonyms: N-[(5Z)-5-(1H-indol-3-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-methylbenzamide
Smiles: Cc1ccc(cc1)C(=O)NN1C(=S)S/C(=C\c2c[nH]c3c2cccc3)/C1=O

STK547827
Synonyms: [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl][(4-methylphenyl)sulfonyl]acetonitrile
Smiles: N#CC(S(=O)(=O)c1ccc(cc1)C)c1nc2ccccc2nc1N1CCN(CC1)Cc1ccccc1

STK547831
Synonyms: 2-[(6-methoxy-2-methylquinolin-4-yl)sulfanyl]acetohydrazide
Smiles: Cc1cc(SCC(=O)NN)c2c(n1)ccc(c2)OC

STK843346
Synonyms: 2-[4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl]-N,N-diethylacetamide
Smiles: CCN(C(=O)Cn1nc(c2ccc(cc2)Cl)c2c(c1=O)cccc2)CC

STK843348
Synonyms: 4-{[4-(4-chlorophenyl)piperazin-1-yl]carbonyl}-9H-fluoren-9-one
Smiles: Clc1ccc(cc1)N1CCN(CC1)C(=O)c1cccc2c1c1ccccc1C2=O

STK547835
Synonyms: prop-2-en-1-yl4-[4-(benzyloxy)-3-methoxyphenyl]-5-cyano-6-(ethylsulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)OCc1ccccc1)C#N)SCC

STK547836
Synonyms: prop-2-en-1-yl4-[4-(benzyloxy)-3-methoxyphenyl]-5-cyano-6-({2-[(2,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)OCc1ccccc1)C#N)SCC(=O)Nc1cc(C)ccc1C

STK547837
Synonyms: di-tert-butyl2-[4-(diethylamino)phenyl]-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Smiles: CCN(c1ccc(cc1)C1C(C(=O)OC(C)(C)C)C(=O)CC(C1C(=O)OC(C)(C)C)(C)O)CC

STK547839
Synonyms: prop-2-en-1-yl4-[4-(benzyloxy)-3-methoxyphenyl]-5-cyano-2-methyl-6-(methylsulfanyl)-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)OCc1ccccc1)C#N)SC

STK843350
Synonyms: 7-[(4-fluorobenzyl)oxy]-3-(4-methoxyphenoxy)-4H-chromen-4-one
Smiles: COc1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OCc1ccc(cc1)F

STK547847
Synonyms: (8S,8aR,11aS)-8-[(4-chlorophenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: O=C1NC(=O)[C@H]2[C@@H]1[C@@H](C(=O)c1ccc(cc1)Cl)N1C2c2ccccc2C=N1

STK547848
Synonyms: 3-({5-[(4-methylphenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoicacid
Smiles: Cc1ccc(cc1)NC1SC(=O)N(C1=O)Cc1cccc(c1)C(=O)O

STK547854
Synonyms: 6-bromo-4-(2-chlorophenyl)-2-(piperazin-1-yl)quinazoline
Smiles: Brc1ccc2c(c1)c(nc(n2)N1CCNCC1)c1ccccc1Cl

STK843359
Synonyms: 4-amino-2-[(3-chlorophenyl)amino]-5-[(3,4-dimethoxyphenyl)carbonyl]thiophene-3-carbonitrile
Smiles: N#Cc1c(Nc2cccc(c2)Cl)sc(c1N)C(=O)c1ccc(c(c1)OC)OC

STK547859
Synonyms: N-(naphthalen-1-yl)-2-oxo-2H-pyran-5-carboxamide
Smiles: O=c1ccc(co1)C(=O)Nc1cccc2c1cccc2

STK843361
Synonyms: 2-{[3-cyano-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N,N-diethylacetamide
Smiles: CCN(C(=O)CSC1=C(C#N)C(CC(=O)N1)c1cc(OC)c(c(c1)OC)OC)CC

STK843362
Synonyms: 2-ethoxyethyl2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3(4H)-yl)butanoate
Smiles: CCC(n1cnc2c(c1=O)cc(s2)c1ccccc1)C(=O)OCCOCC

STK843363
Synonyms: 3-amino-N-(4-fluorophenyl)-4-(thiophen-2-yl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
Smiles: Fc1ccc(cc1)NC(=O)c1sc2c(c1N)c(c1cccs1)c1c(n2)CCC1

STK843365
Synonyms: {4-amino-2-[(4-fluorophenyl)amino]-1,3-thiazol-5-yl}(3-methoxyphenyl)methanone
Smiles: COc1cccc(c1)C(=O)c1sc(nc1N)Nc1ccc(cc1)F

STK547881
Synonyms: 6-ethyl-2-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-4-ol
Smiles: CCc1ccc2c(c1)c(O)c(c(n2)C)CN1CCCC1

STK843368
Synonyms: N-(3-chloro-4-methylphenyl)-2-{[3-cyano-4-(2-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(c(c2)Cl)C)NC2=C(C1c1ccccc1F)C(=O)CCC2

STK547883
Synonyms: methyl5-bromo-6-oxo-1-[2-(piperidin-1-yl)ethyl]-1,6-dihydropyridine-3-carboxylate
Smiles: COC(=O)c1cn(CCN2CCCCC2)c(=O)c(c1)Br

STK547885
Synonyms: N-[(5Z)-5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-methylbenzamide
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)C

STK843372
Synonyms: 2,6-dichloro-3-(trichloromethyl)pyridine
Smiles: Clc1ccc(c(n1)Cl)C(Cl)(Cl)Cl

STK843373
Synonyms: {4-amino-2-[(4-ethoxyphenyl)amino]-1,3-thiazol-5-yl}(3-methoxyphenyl)methanone
Smiles: CCOc1ccc(cc1)Nc1nc(c(s1)C(=O)c1cccc(c1)OC)N

STK843375
Synonyms: 2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Smiles: CCOc1cc(ccc1O)C1CC(=O)NC(=C1C#N)SCC(=O)Nc1ccc(cc1)F

STK547888
Synonyms: (5Z)-5-(4-ethoxy-3-methoxybenzylidene)-3-(2-ethoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=S)N(C1=O)c1ccccc1OCC

STK843376
Synonyms: 5-cyano-4-(furan-2-yl)-6-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-2-methyl-N-(2-methylphenyl)-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)c2ccc(cc2)OC)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1C)C

STK843378
Synonyms: 3-amino-4-(furan-2-yl)-N-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1sc2c(c1N)c(c1ccco1)c1c(n2)CCCCC1

STK547911
Synonyms: ethyl[(2-benzyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1nc(Cc2ccccc2)nc2c1c1CC(C)(C)OCc1s2

STK843381
Synonyms: propyl3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
Smiles: CCCOC(=O)c1sc2c(c1N)c(c1ccco1)c1c(n2)CCCC1

STK547921
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-5-[(4-methylpiperidin-1-yl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CC1CCN(CC1)Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1c(F)cccc1Cl

STK547925
Synonyms: prop-2-en-1-yl2-amino-1-(4-hydroxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: C=CCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1)O

STK843388
Synonyms: 7-bromo-5-(2-chlorophenyl)tetrazolo[1,5-a]quinazoline
Smiles: Brc1ccc2c(c1)c(nc1n2nnn1)c1ccccc1Cl

STK843389
Synonyms: 2-{[3-cyano-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSC1=C(C#N)C(CC(=O)N1)c1cc(OC)c(c(c1)OC)OC

STK843391
Synonyms: 4-acetyl-5-(4-chlorophenyl)-3-hydroxy-1-(2-phenylethyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: Clc1ccc(cc1)C1N(CCc2ccccc2)C(=O)C(=C1C(=O)C)O

STK547926
Synonyms: ethyl2-[({[3-cyano-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CSC2=C(C#N)C(CC(=O)N2)c2cccc(c2)[N+](=O)[O-])sc2c1CCCC2

STK547929
Synonyms: ethyl4-{[(2-amino-1-benzyl-1H-pyrrolo[2,3-b]quinoxalin-3-yl)carbonyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccccc1

STK843395
Synonyms: 3-amino-N-(3-methoxyphenyl)-4-(thiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
Smiles: COc1cccc(c1)NC(=O)c1sc2c(c1N)c(c1cccs1)c1c(n2)CCCCC1

STK547934
Synonyms: 5-(3-fluorophenyl)-3-hydroxy-4-[(4-methylphenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: Cc1ccc(cc1)C(=O)C1=C(O)C(=O)NC1c1cccc(c1)F

STK547937
Synonyms: 5-(2-chlorophenyl)-3-(2-hydroxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Oc1ccccc1C1N(OC2C1C(=O)N(C2=O)c1ccccc1Cl)c1ccccc1

STK843397
Synonyms: 4-({[4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl]acetyl}amino)-N,N-dimethylbenzamide
Smiles: O=C(Cn1nc(c2ccc(cc2)Cl)c2c(c1=O)cccc2)Nc1ccc(cc1)C(=O)N(C)C

STK547939
Synonyms: 3,4-dimethyl-N'-[(1Z)-1-phenylethylidene]-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbohydrazide
Smiles: O=C(c1sc(=S)n(c1C)C)N/N=C(\c1ccccc1)/C

STK547942
Synonyms: 4-{3-[(2-ethoxy-2-oxoethyl)sulfanyl]-5-(furan-2-yl)-4H-1,2,4-triazol-4-yl}benzoicacid
Smiles: CCOC(=O)CSc1nnc(n1c1ccc(cc1)C(=O)O)c1ccco1

STK547943
Synonyms: 11-(4-chlorobenzyl)-3-(1-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: Clc1ccc(cc1)Cn1c2nc3ccccc3nc2c2c1ncn(c2=O)C(c1ccccc1)C

STK547947
Synonyms: N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N-(5-nitronaphthalen-1-yl)benzenesulfonamide
Smiles: OC(CN(S(=O)(=O)c1ccccc1)c1cccc2c1cccc2[N+](=O)[O-])Cn1c2ccccc2c2c1cccc2

STK547949
Synonyms: ethyl3,3,3-trifluoro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(pentanoylamino)alaninate
Smiles: CCCCC(=O)NC(C(F)(F)F)(C(=O)OCC)Nc1nc2c(s1)cc(cc2)C

STK547952
Synonyms: 8-chloro-4-(4-methylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole
Smiles: CN1CCN(CC1)c1ncnc2c1[nH]c1c2cc(cc1)Cl

STK547953
Synonyms: 4-[3-acetyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoicacid
Smiles: Fc1ccc(cc1)C1N(c2ccc(cc2)C(=O)O)C(=O)C(=C1C(=O)C)O

STK547978
Synonyms: 3-hydroxy-2,2-dimethyl-3-(4-methylphenyl)propanoicacid
Smiles: OC(C(C(=O)O)(C)C)c1ccc(cc1)C

STK547991
Synonyms: (3aR,4S,9aR,9bS)-4-[(3-bromo-4-methoxyphenyl)carbonyl]-2-(4-methoxyphenyl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione
Smiles: COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccc(c(c2)Br)OC)C=CC(=C1)C(=O)c1ccccc1

STK547992
Synonyms: 4-(5-methoxy-2-methyl-1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine
Smiles: CNc1scc(n1)c1c(C)[nH]c2c1cc(OC)cc2

STK843412
Synonyms: 3-amino-7,7-dimethyl-N-(2-nitrophenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: O=C(c1sc2c(c1N)cc1c(n2)CC(CC1=O)(C)C)Nc1ccccc1[N+](=O)[O-]

STK547996
Synonyms: 4-fluoro-N-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Smiles: Fc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)F

STK547999
Synonyms: 4-(1,2-dimethyl-1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine
Smiles: CNc1scc(n1)c1c(C)n(c2c1cccc2)C

STK548004
Synonyms: 2,7,8-trimethyl-3-(pyrrolidin-1-ylmethyl)quinolin-4-ol
Smiles: Cc1nc2c(C)c(C)ccc2c(c1CN1CCCC1)O

STK548005
Synonyms: 3-[2-(2-chloro-4-methylphenoxy)ethyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1ccc(cc1Cl)C

STK548007
Synonyms: 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanenitrile
Smiles: C(n1ccc(=O)[nH]c1=O)CC#N

STK548008
Synonyms: methyl5-bromo-1-(2-methylpropyl)-6-oxo-1,6-dihydropyridine-3-carboxylate
Smiles: COC(=O)c1cn(CC(C)C)c(=O)c(c1)Br

STK843415
Synonyms: 2-(4-methyl-1-oxophthalazin-2(1H)-yl)-N-(tetrahydrofuran-2-ylmethyl)acetamide
Smiles: O=C(Cn1nc(C)c2c(c1=O)cccc2)NCC1CCCO1

STK843417
Synonyms: N-(2-methoxyethyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2(1H)-yl]acetamide
Smiles: COCCNC(=O)Cn1nc(c2ccc(cc2)C)c2c(c1=O)cccc2

STK843420
Synonyms: ethyl[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1nc2ccccc2c(=O)[nH]1

STK548015
Synonyms: N-[(5Z)-5-(2,4-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2-methoxybenzamide
Smiles: COc1ccc(c(c1)OC)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1OC

STK548028
Synonyms: N-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2-nitrobenzamide
Smiles: Fc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1[N+](=O)[O-]

STK843426
Synonyms: 2-{[3-cyano-4-(2-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2C(F)(F)F)NC2=C(C1c1ccccc1F)C(=O)CCC2

STK843428
Synonyms: N~4~-benzyl-N~2~-phenylquinazoline-2,4-diamine
Smiles: c1ccc(cc1)CNc1nc(Nc2ccccc2)nc2c1cccc2

STK843429
Synonyms: [3-amino-4-(thiophen-2-yl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridin-2-yl](phenyl)methanone
Smiles: O=C(c1sc2c(c1N)c(c1cccs1)c1c(n2)CCC1)c1ccccc1

STK548046
Synonyms: methyl4-[(3S)-2,2-dicyano-3-(phenylcarbonyl)cyclopropyl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1[C@@H](C1(C#N)C#N)C(=O)c1ccccc1

STK548049
Synonyms: 3-bromo-N-[2-(dimethylamino)ethyl]-2-oxo-2H-pyran-5-carboxamide
Smiles: CN(CCNC(=O)c1coc(=O)c(c1)Br)C

STK548053
Synonyms: 1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-3-methyl-2-(prop-2-en-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: C=CCc1c(C)c(C#N)c2n(c1N1CCN(CC1)C(=O)c1ccco1)c1ccccc1n2

STK548055
Synonyms: N-{4-[(5-methylpyrimidin-2-yl)sulfamoyl]phenyl}tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Smiles: Cc1cnc(nc1)NS(=O)(=O)c1ccc(cc1)NC(=O)C12CC3CC(C2)CC(C1)C3

STK548059
Synonyms: (2Z)-4-(4-benzylpiperazin-1-yl)-3-hydroxy-2-(1-methyl-1H-benzimidazol-2-yl)but-2-enenitrile
Smiles: N#C/C(=C(\CN1CCN(CC1)Cc1ccccc1)/O)/c1nc2c(n1C)cccc2

STK548062
Synonyms: (5Z)-2-[(2-methylphenyl)amino]-5-(pyridin-3-ylmethylidene)-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\c1cccnc1)Nc1ccccc1C

STK843438
Synonyms: 2-{[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-[2-(4-methoxyphenyl)ethyl]acetamide
Smiles: N#CC1=C(SCC(=O)NCCc2ccc(cc2)OC)NC(=O)CC1c1ccccc1F

STK548084
Synonyms: methylN-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]alaninate
Smiles: COC(=O)C(C(F)(F)F)(NC(=O)c1cccc(c1)Cl)Nc1ncc(s1)C

STK548101
Synonyms: N-[(5Z)-5-(2,4-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-3-nitrobenzamide
Smiles: COc1ccc(c(c1)OC)/C=C/1\SC(=S)N(C1=O)NC(=O)c1cccc(c1)[N+](=O)[O-]

STK548102
Synonyms: 2-phenoxy-6-phenylpyrimidine-4-carbonitrile
Smiles: N#Cc1nc(Oc2ccccc2)nc(c1)c1ccccc1

STK548109
Synonyms: ethyl5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(CN2CCN(CC2)C)oc2c1cc(O)cc2

STK548111
Synonyms: 6-methyl-5-phenyl-4H-imidazo[4,5-f][2,1,3]benzoxadiazole-4,8(5H)-dione
Smiles: O=C1c2c(nc(n2c2ccccc2)C)C(=O)c2c1non2

STK843453
Synonyms: 3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-ylthiophene-2-carboxylate
Smiles: O=C(c1cccs1)Oc1ccc2c(c1)occ(c2=O)Oc1ccccc1Cl

STK548122
Synonyms: 3-(2-hydroxyphenyl)-5-(3-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Cc1cccc(c1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccccc1O

STK548125
Synonyms: 3-(1,3-benzothiazol-2-yl)-3-methoxypropanoicacid
Smiles: COC(c1nc2c(s1)cccc2)CC(=O)O

STK548127
Synonyms: 6-(methoxycarbonyl)-2,5-diphenylcyclohex-3-ene-1-carboxylicacid
Smiles: COC(=O)C1C(C=CC(C1C(=O)O)c1ccccc1)c1ccccc1

STK843456
Synonyms: 7-(2-chlorobenzyl)-8-[(2-ethoxyethyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCOCCSc1nc2c(n1Cc1ccccc1Cl)c(=O)n(c(=O)n2C)C

STK843460
Synonyms: 3-amino-4-(2-chlorophenyl)-N-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
Smiles: Fc1ccc(cc1)NC(=O)c1sc2c(c1N)c(c1c(n2)CCC1)c1ccccc1Cl

STK548139
Synonyms: (6aS,6bR,9aS,10R)-10-(1H-benzotriazol-1-ylcarbonyl)-8-phenyl-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: O=C1N(c2ccccc2)C(=O)[C@@H]2[C@H]1[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)n1nnc2c1cccc2

STK548142
Synonyms: (5Z)-5-(1H-indol-3-ylmethylidene)-2-[(3-methylphenyl)amino]-1,3-thiazol-4(5H)-one
Smiles: Cc1cccc(c1)NC1=NC(=O)/C(=C/c2c[nH]c3c2cccc3)/S1

STK548145
Synonyms: N-[(E)-(4-nitrophenyl)methylidene]-1-(tricyclo[4.3.1.1~3,8~]undec-1-yl)methanamine
Smiles: [O-][N+](=O)c1ccc(cc1)/C=N/CC12CC3CCC(C1)CC(C2)C3

STK548149
Synonyms: 3-amino-N-(1,3-thiazol-2-yl)-4-(thiophen-2-yl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
Smiles: O=C(c1sc2c(c1N)c(c1cccs1)c1c(n2)CCC1)Nc1nccs1

STK548150
Synonyms: 3-(2-hydroxyphenyl)-5-(2-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Oc1ccccc1C1N(OC2C1C(=O)N(C2=O)c1ccccc1C)c1ccccc1

STK548153
Synonyms: (2E)-3-(3,4-dimethoxyphenyl)-N-{[4-(pyridin-2-yl)piperazin-1-yl]carbonothioyl}prop-2-enamide
Smiles: COc1cc(/C=C/C(=O)NC(=S)N2CCN(CC2)c2ccccn2)ccc1OC

STK548156
Synonyms: 1-methoxypropan-2-yl{3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate
Smiles: COCC(OC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)Cc1ccc2c(c1)OCO2)C#N)C

STK548157
Synonyms: 5-(3-chlorophenyl)-3-(2-hydroxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Clc1cccc(c1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccccc1O

STK548158
Synonyms: 4-(4-chlorophenoxy)-2-(quinolin-8-yl)-1H-isoindole-1,3(2H)-dione
Smiles: Clc1ccc(cc1)Oc1cccc2c1C(=O)N(C2=O)c1cccc2c1nccc2

STK548164
Synonyms: (5E)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-1-[4-(propan-2-yl)phenyl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: CC(c1ccc(cc1)N1C(=S)NC(=O)/C(=C\NCCCn2ccnc2)/C1=O)C

STK843466
Synonyms: 2-amino-4-(4-methylphenyl)-6-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]sulfanyl}pyridine-3,5-dicarbonitrile
Smiles: N#Cc1c(SCC(=O)c2cc3ccccc3oc2=O)nc(c(c1c1ccc(cc1)C)C#N)N

STK548170
Synonyms: [1-(benzylamino)-2-methylpropyl](2-phenylethyl)phosphinicacid
Smiles: CC(C(P(=O)(CCc1ccccc1)O)NCc1ccccc1)C

STK843468
Synonyms: 3-amino-N-(4-methylphenyl)-4-(thiophen-2-yl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
Smiles: Cc1ccc(cc1)NC(=O)c1sc2c(c1N)c(c1cccs1)c1c(n2)CCC1

STK548176
Synonyms: [3-(3-benzylpyridinium-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl](thiophen-2-ylsulfonyl)azanide
Smiles: O=C1C(=C([n+]2cccc(c2)Cc2ccccc2)C(=O)c2c1cccc2)[N-]S(=O)(=O)c1cccs1

STK843471
Synonyms: 6-bromo-N-(2-methoxy-5-methylphenyl)quinazolin-4-amine
Smiles: COc1ccc(cc1Nc1ncnc2c1cc(Br)cc2)C

STK548184
Synonyms: 4-(3,6-dihydro-2H-pyran-4-ylmethoxy)-N-{(E)-[4-(heptyloxy)phenyl]methylidene}aniline
Smiles: CCCCCCCOc1ccc(cc1)/C=N/c1ccc(cc1)OCC1=CCOCC1

STK843476
Synonyms: 2-{5-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-oxadiazol-2-yl]pentyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: C=CCSc1nnc(o1)CCCCCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK843477
Synonyms: 3-amino-N-benzyl-4-(thiophen-2-yl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
Smiles: O=C(c1sc2c(c1N)c(c1cccs1)c1c(n2)CCC1)NCc1ccccc1

STK548192
Synonyms: 1',3'-dioxo-1',3'-dihydrospiro[cyclopropane-1,2'-indene]-2,2,3,3-tetracarbonitrile
Smiles: N#CC1(C#N)C(C21C(=O)c1c(C2=O)cccc1)(C#N)C#N

STK548197
Synonyms: 3-nitro-N-{(5Z)-4-oxo-5-[4-(prop-2-en-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}benzamide
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1cccc(c1)[N+](=O)[O-]

STK548198
Synonyms: 4,5-bis(4-chlorophenyl)-2-(2,4-dimethoxy-3-methylphenyl)-1H-imidazole
Smiles: COc1ccc(c(c1C)OC)c1[nH]c(c(n1)c1ccc(cc1)Cl)c1ccc(cc1)Cl