FULL DB

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

STK550377
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1

STK550378
Synonyms: 1-phenyl-1H-tetrazol-5-yl(1E)-N-(2-methylphenyl)-2-oxopropanehydrazonothioate
Smiles: CC(=O)/C(=N\Nc1ccccc1C)/Sc1nnnn1c1ccccc1

STK550379
Synonyms: N-(2-ethoxyphenyl)-11-(4-fluorophenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCOc1ccccc1Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccc(cc1)F)C)c1ccccc1

STK550380
Synonyms: (5Z)-5-{[1-(2,6-dichlorobenzyl)-1H-indol-3-yl]methylidene}-1-(furan-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)N(C(=O)/C/1=C\c1cn(c2c1cccc2)Cc1c(Cl)cccc1Cl)Cc1ccco1

STK550384
Synonyms: (2'R,3'R)-3'-(2,2-dimethylpropanoyl)-2'-phenyl-2',3'-dihydro-10b'H-spiro[indene-2,1'-pyrrolo[2,1-a]phthalazine]-1,3-dione
Smiles: O=C(C(C)(C)C)[C@@H]1N2N=Cc3c(C2[C@@]2([C@H]1c1ccccc1)C(=O)c1c(C2=O)cccc1)cccc3

STK550385
Synonyms: N-[2-hydroxy-3-(pyrrolidin-1-yl)propyl]-4-methyl-N-phenylbenzenesulfonamide
Smiles: OC(CN(S(=O)(=O)c1ccc(cc1)C)c1ccccc1)CN1CCCC1

STK550388
Synonyms: (4aS,4bR,7aS,8R)-8-[(3-nitrophenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: O=C1NC(=O)[C@@H]2[C@H]1[C@@H](N1[C@H]2C=CC=N1)C(=O)c1cccc(c1)[N+](=O)[O-]

STK550389
Synonyms: 2-imino-10-methyl-3-[(4-methylphenyl)sulfonyl]-1-(pyridin-4-ylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Smiles: Cc1ccc(cc1)S(=O)(=O)c1cc2c(n(c1=N)Cc1ccncc1)nc1n(c2=O)cccc1C

STK550390
Synonyms: (5Z)-1-(4-fluorophenyl)-5-[(1-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}-1H-indol-3-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Fc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCOc2cc(C)ccc2C(C)C)/C1=O

STK550391
Synonyms: (8S,8aR,11aS,11bS)-10-(2,5-dimethoxyphenyl)-8-(2,2-dimethylpropanoyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: COc1ccc(c(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)C(C)(C)C)C=Cc2c1cccc2)OC

STK550392
Synonyms: 3-(methylsulfonyl)-2-(4-nitrophenyl)-1,3-thiazolidine
Smiles: [O-][N+](=O)c1ccc(cc1)C1SCCN1S(=O)(=O)C

STK550393
Synonyms: 2-[4-(propan-2-yloxy)phenyl]-N-(tetrahydrofuran-2-ylmethyl)quinazolin-4-amine
Smiles: CC(Oc1ccc(cc1)c1nc(NCC2CCCO2)c2c(n1)cccc2)C

STK550394
Synonyms: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-(2-methylpropoxy)benzamide
Smiles: CC(COc1ccc(cc1)C(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C)C

STK550395
Synonyms: N-(3,5-dimethylphenyl)-11-(4-ethylphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCc1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1cc(C)cc(c1)C)nc1c2cccc1

STK550396
Synonyms: N-(3-chlorophenyl)-11-[4-(dimethylamino)phenyl]-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Clc1cccc(c1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)N(C)C)c(nn1c1ccccc1)C

STK550397
Synonyms: N~6~-(2,4-dimethylphenyl)-N~4~-ethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine
Smiles: CCNc1cc(Nc2ccc(cc2C)C)c(c2c1non2)[N+](=O)[O-]

STK550398
Synonyms: 5-(benzyloxy)-3-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]-1H-indole-2-carboxylicacid
Smiles: OC(=O)c1[nH]c2c(c1CCCN1C(=O)c3c(C1=O)cccc3)cc(cc2)OCc1ccccc1

STK550399
Synonyms: 3-(4-chlorophenyl)-2-[(E)-2-(1,2-dimethyl-1H-indol-3-yl)ethenyl]quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)n1c(/C=C/c2c3ccccc3n(c2C)C)nc2c(c1=O)cccc2

STK550400
Synonyms: 2-(2-fluorophenyl)-4-phenoxyquinazoline
Smiles: Fc1ccccc1c1nc(Oc2ccccc2)c2c(n1)cccc2

STK550401
Synonyms: 3-(2-methylpropyl)-2-(propylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: CCCSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCCC3

STK550403
Synonyms: 1-[(4-fluorobenzyl)sulfanyl]-7,7-dimethyl-4-phenyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Fc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CC(OC3)(C)C

STK550404
Synonyms: 3-[5-(benzylsulfanyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine
Smiles: CCOc1ccc(cc1)n1c(SCc2ccccc2)nnc1c1cccnc1

STK550405
Synonyms: phenyl[3-phenyl-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
Smiles: O=C(N1N=C(CC1c1cccs1)c1ccccc1)c1ccccc1

STK550406
Synonyms: 10-[(2-chlorobenzyl)oxy]-12-(3,4-diethoxyphenyl)-2,3-diethoxy-5,6-dihydroindolo[2,1-a]isoquinoline
Smiles: CCOc1cc(ccc1OCC)c1c2cc(OCc3ccccc3Cl)ccc2n2c1c1cc(OCC)c(cc1CC2)OCC

STK550407
Synonyms: 2-(butylsulfanyl)-3-(furan-2-ylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CCCCSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK550408
Synonyms: 2-[(4-methylbenzyl)sulfanyl]-3-(3-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: Cc1cccc(c1)n1c(SCc2ccc(cc2)C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550409
Synonyms: N-(2-chlorophenyl)-2-{[5-(furan-2-yl)-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1Cl)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccco1

STK550410
Synonyms: 2-[(2-phenylethyl)sulfanyl]-6-propyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: CCCC1OCc2c(C1)c1c(N)nc(nc1s2)SCCc1ccccc1

STK550411
Synonyms: 1-(4-chlorophenyl)-3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]pyrrolidine-2,5-dione
Smiles: Clc1ccc(cc1)N1C(=O)CC(C1=O)Cn1nc(cc1C)C

STK550412
Synonyms: (8R,8aS,11aR)-8-[(4-methoxyphenyl)carbonyl]-10-phenyl-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1)cccc3

STK550413
Synonyms: 5-(2-chlorophenyl)-3-[(2-methylprop-2-en-1-yl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CC(=C)CSc1nnc2n1c(nc1c2c2CCCCc2s1)c1ccccc1Cl

STK550414
Synonyms: N'-(2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)furan-2-carbohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1ccncc1)NNC(=O)c1ccco1

STK550415
Synonyms: N-(diphenylmethyl)-2-[(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)NC(c2ccccc2)c2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK550416
Synonyms: 4-[methyl(2,3,5,6-tetrafluoropyridin-4-yl)amino]phenol
Smiles: Oc1ccc(cc1)N(c1c(F)c(F)nc(c1F)F)C

STK550417
Synonyms: 7-(naphthalen-2-yl)-3-(3-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
Smiles: O=C1CC2(C(=O)N1c1ccc3c(c1)cccc3)ON=C(C2)c1cccc(c1)[N+](=O)[O-]

STK550419
Synonyms: 5-cyano-6-({2-[(2,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-ethoxyphenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Smiles: CCOc1ccc(cc1)C1C(=C(SCC(=O)Nc2cc(C)ccc2C)NC(=C1C(=O)Nc1ccccc1)C)C#N

STK550421
Synonyms: (3a'R,8a'S,8b'S)-2'-(4-bromophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indene-2,4'-pyrrolo[3,4-a]pyrrolizine]-1,1',3,3'(2'H)-tetrone
Smiles: Brc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@]1(N3[C@H]2CCC3)C(=O)c2c(C1=O)cccc2

STK550422
Synonyms: N-(2,4-dimethylphenyl)-2-[(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2C)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK550423
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2,3-dihydro-1H-indol-1-ylmethyl)-N'-{(1E)-1-[4-(1H-pyrrol-1-yl)phenyl]ethylidene}-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1CN1CCc2c1cccc2)c1nonc1N)N/N=C(/c1ccc(cc1)n1cccc1)\C

STK550424
Synonyms: 9-(4-methoxyphenyl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8(9H)-one
Smiles: COc1ccc(cc1)n1cnc2c(c1=O)sc1c2c2CCCCc2c(n1)N1CCOCC1

STK550425
Synonyms: (4bR,7aS,8R)-8-[(4-methoxyphenyl)carbonyl]-6-(4-nitrophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=CC=CC2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-]

STK550426
Synonyms: (8S,8aR,11aS,11bS)-10-(4-bromophenyl)-8-(2,2-dimethylpropanoyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: Brc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2c2ccccc2C=C1)C(=O)C(C)(C)C

STK550427
Synonyms: 2-{2-[(6,6-dimethyl-4-oxo-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione
Smiles: O=C1N(CCSc2nc3sc4c(c3c(=O)n2c2ccccc2)CC(OC4)(C)C)C(=O)c2c1cccc2

STK550428
Synonyms: 2-methoxyethyl2-amino-1-(2,5-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: COCCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1cc(C)ccc1C

STK550429
Synonyms: 1-{3-[1-cyano-2-(hexylamino)-2-oxoethyl]quinoxalin-2-yl}piperidine-4-carboxamide
Smiles: CCCCCCNC(=O)C(c1nc2ccccc2nc1N1CCC(CC1)C(=O)N)C#N

STK550432
Synonyms: 2-[(3-methylbenzyl)sulfanyl]-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: Cc1cccc(c1)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCCC3

STK550433
Synonyms: 9-(4-acetylphenyl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8(9H)-one
Smiles: CC(=O)c1ccc(cc1)n1cnc2c(c1=O)sc1c2c2CCCCc2c(n1)N1CCOCC1

STK550434
Synonyms: 3-(benzylsulfanyl)-5-phenyl-10-(propan-2-yl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CC(C1OCc2c(C1)c1c(s2)nc(n2c1nnc2SCc1ccccc1)c1ccccc1)C

STK550436
Synonyms: (5Z)-5-(2,3-dimethoxybenzylidene)-2-[(3,4-dimethylphenyl)amino]-1,3-thiazol-4(5H)-one
Smiles: COc1cccc(c1OC)/C=C/1\SC(=NC1=O)Nc1ccc(c(c1)C)C

STK550437
Synonyms: N-[3-(dibutylamino)-2-hydroxypropyl]-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
Smiles: CCCCN(CC(CN(S(=O)(=O)c1ccccc1)c1cc(ccc1OC)[N+](=O)[O-])O)CCCC

STK550438
Synonyms: 2-[(4-chlorobenzyl)sulfanyl]-3-(3-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: Cc1cccc(c1)n1c(SCc2ccc(cc2)Cl)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550439
Synonyms: 2-{(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}-3-phenylpropanoicacid
Smiles: C/C(=C\c1ccccc1)/C=C/1\SC(=S)N(C1=O)C(C(=O)O)Cc1ccccc1

STK550441
Synonyms: (8R,8aS,11aR)-8-acetyl-10-(4-bromophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: CC(=O)[C@H]1[C@H]2C(=O)N(C(=O)[C@H]2C2N1N=Cc1c2cccc1)c1ccc(cc1)Br

STK550442
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3,5-dichloro-2-methoxyphenyl)methylidene]-5-(3-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1c(/C=N/NC(=O)c2nnn(c2c2cccc(c2)[N+](=O)[O-])c2nonc2N)cc(cc1Cl)Cl

STK550443
Synonyms: (2'S,3S,3'S,10b'R)-3'-(2,2-dimethylpropanoyl)-2'-(thiophen-2-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: O=C([C@@H]1[C@H](N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2)C(=O)C(C)(C)C)c1cccs1

STK550445
Synonyms: 2,6-dibutoxy-N-(2-phenylethyl)benzamide
Smiles: CCCCOc1cccc(c1C(=O)NCCc1ccccc1)OCCCC

STK550446
Synonyms: methyl1-acetyl-7-(4-fluorophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Smiles: COC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)c1ccc(cc1)F)C(=O)C

STK550449
Synonyms: (6aS,6bR,9aS,10R)-10-(2,2-dimethylpropanoyl)-8-(4-fluorophenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Fc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)C(C)(C)C

STK550450
Synonyms: N-cyclohexyl-2-[4-(propan-2-yloxy)phenyl]quinazolin-4-amine
Smiles: CC(Oc1ccc(cc1)c1nc(NC2CCCCC2)c2c(n1)cccc2)C

STK550452
Synonyms: (4aR,4bS,7aR,8S)-6-(2,5-dimethoxyphenyl)-8-(phenylcarbonyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: COc1ccc(c(c1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=CC=N1)C(=O)c1ccccc1)OC

STK550453
Synonyms: (2Z)-2-{[5-(2,4-dichlorophenyl)furan-2-yl]methylidene}-6-(3,4-dimethoxybenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: COc1cc(ccc1OC)Cc1nn2c(nc1=O)s/c(=C\c1ccc(o1)c1ccc(cc1Cl)Cl)/c2=O

STK550454
Synonyms: 2-[(7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)sulfanyl]-N-(diphenylmethyl)acetamide
Smiles: O=C(NC(c1ccccc1)c1ccccc1)CSc1nc(nc2c1COC(C2)(C)C)c1ccccc1

STK550455
Synonyms: (2E)-3-(4-methoxyphenyl)-N-({2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]hydrazinyl}carbonothioyl)prop-2-enamide
Smiles: COc1ccc(cc1)/C=C/C(=O)NC(=S)NNC(=O)c1c(C)onc1c1ccccc1

STK550456
Synonyms: ethyl1-{[(phenylcarbonyl)carbamothioyl]amino}-5-(propan-2-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
Smiles: CCOC(=O)c1sc2c(c1NC(=S)NC(=O)c1ccccc1)c1CCCCc1c(n2)C(C)C

STK550458
Synonyms: 6,6-dimethyl-2-[(naphthalen-2-ylmethyl)sulfanyl]-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: Nc1nc(SCc2ccc3c(c2)cccc3)nc2c1c1CC(C)(C)OCc1s2

STK550459
Synonyms: 3-{4-(4-bromophenyl)-5-[(2,6-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine
Smiles: Brc1ccc(cc1)n1c(nnc1c1cccnc1)SCc1c(Cl)cccc1Cl

STK550460
Synonyms: 11-(3-methylbutyl)-3-(tetrahydrofuran-2-ylmethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: CC(CCn1c2ncn(c(=O)c2c2c1nc1ccccc1n2)CC1CCCO1)C

STK550461
Synonyms: 3-[(2,2-diethoxyethyl)sulfanyl]-10,10-dimethyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCOC(CSc1nnc2n1c(SC)nc1c2c2CC(C)(C)OCc2s1)OCC

STK550463
Synonyms: 2,2-dimethyl-5-(morpholin-4-yl)-9-(2-phenylethyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(9H)-one
Smiles: O=c1n(CCc2ccccc2)cnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK550464
Synonyms: 2-[(3-methylbenzyl)sulfanyl]-3-(4-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: Cc1ccc(cc1)n1c(SCc2cccc(c2)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK550465
Synonyms: 2-[2-(4-ethylphenyl)-5,6-diphenyl-1H-imidazo[1,2-a]imidazol-1-yl]ethanol
Smiles: OCCn1c(cn2c1nc(c2c1ccccc1)c1ccccc1)c1ccc(cc1)CC

STK550466
Synonyms: 1-(2-chloro-10H-phenothiazin-10-yl)-2-(4-methylpiperazin-1-yl)ethanone
Smiles: CN1CCN(CC1)CC(=O)N1c2ccccc2Sc2c1cc(Cl)cc2

STK550468
Synonyms: N-[(2Z,5Z)-5-(4-chlorobenzylidene)-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
Smiles: Clc1ccc(cc1)N1/C(=N/C(=O)c2ccccc2)/S/C(=C\c2ccc(cc2)Cl)/C1=O

STK550469
Synonyms: 2-amino-1-butyl-N-pentyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: CCCCCNC(=O)c1c2nc3ccccc3nc2n(c1N)CCCC

STK550470
Synonyms: 6-iodo-3-(2-methylprop-2-en-1-yl)-2-[(2-phenylethyl)sulfanyl]quinazolin-4(3H)-one
Smiles: CC(=C)Cn1c(SCCc2ccccc2)nc2c(c1=O)cc(cc2)I

STK550471
Synonyms: ethyl4-{[(2E,5Z)-5-(4-chlorobenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)/N=C\1/S/C(=C\c2ccc(cc2)Cl)/C(=O)N1C

STK550472
Synonyms: 2-hydroxy-N'-[(E)-1H-indol-2-ylmethylidene]-2-phenylacetohydrazide
Smiles: O=C(C(c1ccccc1)O)N/N=C/c1cc2c([nH]1)cccc2

STK550473
Synonyms: (2E)-3-(4-fluorophenyl)-N-{[2-(pyridin-3-yl)piperidin-1-yl]carbamothioyl}prop-2-enamide
Smiles: S=C(NN1CCCCC1c1cccnc1)NC(=O)/C=C/c1ccc(cc1)F

STK550475
Synonyms: (9E)-3-(4-bromophenyl)-9-(4-chlorobenzylidene)-5-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline
Smiles: Clc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1ccc(cc1)Br)/C(=C/c1ccc(cc1)Cl)/CCC2

STK550477
Synonyms: N-methyl-2-{[4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}-N-phenylacetamide
Smiles: CC(Cc1nc2sc3c(c2c2c1CCC2)ncnc3SCC(=O)N(c1ccccc1)C)C

STK550479
Synonyms: (4aR,4bS,7aR,8S)-6-(2,4-dimethoxyphenyl)-8-(phenylcarbonyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: COc1cc(OC)ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccccc2)N=CC=C1

STK550480
Synonyms: (5Z)-1-[4-(butan-2-yl)phenyl]-5-{[1-(2-methylbenzyl)-1H-indol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCC(c1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)Cc2ccccc2C)/C1=O)C

STK550481
Synonyms: methyl3-chloro-2-iodo-3-phenylpropanoate
Smiles: COC(=O)C(C(c1ccccc1)Cl)I

STK550482
Synonyms: 4-butyl-7-[(2,6-dichlorobenzyl)sulfanyl]-2,3,5a,10b-tetrahydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CCCCC1=NC2Sc3c(C2C2=C1CCC2)ncnc3SCc1c(Cl)cccc1Cl

STK550483
Synonyms: propan-2-yl2-amino-1-(4-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: CC(OC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1)C)C

STK550484
Synonyms: N-(diphenylmethyl)-2-{[4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}acetamide
Smiles: CC(Cc1nc2sc3c(c2c2c1CCC2)ncnc3SCC(=O)NC(c1ccccc1)c1ccccc1)C

STK550486
Synonyms: 5-cyano-N-(4-fluorophenyl)-4-(furan-2-yl)-6-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Smiles: COc1cccc(c1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccc(cc1)F)c1ccco1

STK550488
Synonyms: 2-{[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}-N-phenylpropanamide
Smiles: COc1ccc(cc1)n1c(SC(C(=O)Nc2ccccc2)C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550490
Synonyms: N-(4-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine
Smiles: CC1CC(C)CN(C1)c1nc(Nc2ccc(cc2)Cl)c(c(n1)N)[N+](=O)[O-]

STK550492
Synonyms: 2-[(2,4-dichlorobenzyl)sulfanyl]-3-ethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CCn1c(SCc2ccc(cc2Cl)Cl)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550493
Synonyms: 11-[4-(dimethylamino)phenyl]-10-methyl-N-(3-methylphenyl)-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Cc1cccc(c1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)N(C)C)c(nn1c1ccccc1)C

STK550494
Synonyms: 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-cyclopentylideneacetohydrazide
Smiles: O=C(CSc1nc2c(s1)cccc2)NN=C1CCCC1

STK550495
Synonyms: 2-{(2Z)-2-[(2E)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl}-N-(3-bromophenyl)acetamide
Smiles: O=C(CC1S/C(=N\N=C\c2ccccc2)/NC1=O)Nc1cccc(c1)Br

STK550497
Synonyms: N-(2,3-dimethylphenyl)-N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]-2-methylbenzamide
Smiles: Cc1ccc2c(c1)nc(c(c2)CN(c1cccc(c1C)C)C(=O)c1ccccc1C)O

STK550499
Synonyms: 5-(3-bromophenyl)-9-chloro-2-(naphthalen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: Clc1ccc2c(c1)C1CC(=NN1C(O2)c1cccc(c1)Br)c1ccc2c(c1)cccc2

STK550500
Synonyms: 1-(2-chlorobenzyl)-3-[(4-chlorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]quinoxalin-2-amine
Smiles: Clc1ccc(cc1)S(=O)(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccccc1Cl

STK550501
Synonyms: (4bR,7aS,8R)-6-(2-methoxyphenyl)-8-[(4-methoxyphenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=CC=CC2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1OC

STK550503
Synonyms: 2-[4-(2-chlorobenzyl)piperazin-1-yl]-N'-[(Z)-(2,3-dimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1c(/C=N\NC(=O)CN2CCN(CC2)Cc2ccccc2Cl)cccc1OC

STK550504
Synonyms: 8-chloro-N-(2-methoxybenzyl)-5H-pyrimido[5,4-b]indol-4-amine
Smiles: COc1ccccc1CNc1ncnc2c1[nH]c1c2cc(cc1)Cl

STK550505
Synonyms: 2-methyl-4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazin-1(2H)-one
Smiles: CN1CCN(CC1)S(=O)(=O)c1cc(ccc1C)c1nn(C)c(=O)c2c1cccc2

STK550506
Synonyms: N-(3-chloro-4-methylphenyl)-11-(4-ethylphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCc1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(c(c1)Cl)C)c1ccccc1

STK550507
Synonyms: 3-(2-chlorophenyl)-2-[(E)-2-(2-hydroxyphenyl)ethenyl]-6-iodoquinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccccc1O)c1ccccc1Cl

STK550508
Synonyms: 2-[2-({4-amino-6-[(3-methylphenyl)amino]-5-nitropyrimidin-2-yl}amino)ethoxy]ethanol
Smiles: OCCOCCNc1nc(N)c(c(n1)Nc1cccc(c1)C)[N+](=O)[O-]

STK550509
Synonyms: 4-{[(6aS,6bR,9aS,10R)-8-(4-nitrophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinolin-10-yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(cc1)[N+](=O)[O-])C=Cc1c2cccc1

STK550510
Synonyms: N-(3-chloro-4-methylphenyl)-11-(3-methoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1cccc(c1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(c(c1)Cl)C)c1ccccc1

STK550511
Synonyms: 2-[6-(1,3-benzodioxol-5-ylamino)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl]-4-bromophenol
Smiles: Brc1ccc(c(c1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc2c(c1)OCO2)c1ccccc1)O

STK550513
Synonyms: 4-[3-(4-chlorophenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoicacid
Smiles: OC(=O)CCC(=O)N1N=C(CC1c1cccs1)c1ccc(cc1)Cl

STK550514
Synonyms: 1,5-diethyl-3,7-bis(phenylacetyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
Smiles: CCC12CN(CC(C2=O)(CN(C1)C(=O)Cc1ccccc1)CC)C(=O)Cc1ccccc1

STK550515
Synonyms: 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N'-[(E)-(2-nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(s1)SCc1ccc(cc1)Cl)N/N=C/c1ccccc1[N+](=O)[O-]

STK550516
Synonyms: 8-chloro-N-(4-methoxybenzyl)-5H-pyrimido[5,4-b]indol-4-amine
Smiles: COc1ccc(cc1)CNc1ncnc2c1[nH]c1c2cc(cc1)Cl

STK550517
Synonyms: N-ethyl-2-imino-10-methyl-5-oxo-1-(tetrahydrofuran-2-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Smiles: CCNC(=O)c1cc2c(n(c1=N)CC1CCCO1)nc1n(c2=O)cccc1C

STK550518
Synonyms: 3-(3-methylphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: Cc1cccc(c1)n1c(SCC(=O)c2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550519
Synonyms: N-(3,4-dimethylphenyl)-11-(4-ethoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCOc1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1ccc(c(c1)C)C)nc1c2cccc1

STK550520
Synonyms: 11-[4-(dimethylamino)phenyl]-N-(3,4-dimethylphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CN(c1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(c(c1)C)C)c1ccccc1)C

STK550521
Synonyms: N'-[(3Z)-5-bromo-2-oxo-1-{[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-1,2-dihydro-3H-indol-3-ylidene]-4-fluorobenzohydrazide
Smiles: Brc1ccc2c(c1)/C(=N/NC(=O)c1ccc(cc1)F)/C(=O)N2CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STK550522
Synonyms: (5Z)-1-(3-chloro-4-methylphenyl)-5-({1-[2-(2-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)N(C(=O)/C/1=C\c1cn(c2c1cccc2)CCOc1ccccc1C)c1ccc(c(c1)Cl)C

STK550525
Synonyms: N-(4-iodophenyl)-4-nitro-7-(piperidin-1-yl)-2,1,3-benzoxadiazol-5-amine
Smiles: Ic1ccc(cc1)Nc1cc(N2CCCCC2)c2c(c1[N+](=O)[O-])non2

STK550526
Synonyms: methyl1-acetyl-6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Smiles: COC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)c1ccccc1)C(=O)C

STK550527
Synonyms: 3-(4-chlorophenyl)-6-iodo-2-[(E)-2-(2-methylphenyl)ethenyl]quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)n1c(/C=C/c2ccccc2C)nc2c(c1=O)cc(cc2)I

STK550528
Synonyms: 3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(4-chlorophenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
Smiles: Clc1ccc(cc1)C1CC(=NN1C(=S)Nc1ccccc1)c1c(=O)[nH]c2c(c1c1ccccc1)cc(cc2)Cl

STK550529
Synonyms: ethyl5-(4-bromophenyl)-4,6-dioxo-1-(3-oxobutyl)-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Smiles: CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)c1ccc(cc1)Br)CCC(=O)C

STK550530
Synonyms: 2-{[10-(methylsulfanyl)-5-(propan-2-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}-N,N-diphenylacetamide
Smiles: CSc1nc(SCC(=O)N(c2ccccc2)c2ccccc2)c2c(n1)c1c(s2)nc(c2c1CCCC2)C(C)C

STK550532
Synonyms: 4-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxyquinazoline
Smiles: CCOc1cc2nc(nc(c2cc1OC)N1CCc2c(C1)cccc2)c1ccc(c(c1)OC)OC

STK550533
Synonyms: 3-[(2,6-dichlorobenzyl)sulfanyl]-5-(methylsulfanyl)-10-(propan-2-yl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(SCc1c(Cl)cccc1Cl)nn2)CC(OC3)C(C)C

STK550535
Synonyms: 5-ethyl-2-hydrazinyl-5-methyl-3-(4-methylphenyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
Smiles: CCC1(C)Cc2ccccc2c2c1c(=O)n(c(n2)NN)c1ccc(cc1)C

STK550536
Synonyms: (2'R,3'R)-2'-(5-bromo-2-hydroxyphenyl)-3'-[(4-methoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indene-2,1'-pyrrolo[2,1-a]phthalazine]-1,3-dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@@]2([C@H]1c1cc(Br)ccc1O)C(=O)c1c(C2=O)cccc1)cccc3

STK550537
Synonyms: N-(4-methylphenyl)-2-{[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3

STK550538
Synonyms: N-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)carbamothioyl]benzamide
Smiles: N#Cc1cc2CCCCc2nc1NC(=S)NC(=O)c1ccccc1

STK550539
Synonyms: prop-2-en-1-yl2-amino-1-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: C=CCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccccc1OCC

STK550540
Synonyms: 2-(4-benzylpiperazin-1-yl)-N'-[(E)-(3-bromo-4-methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1ccc(cc1Br)/C=N/NC(=O)CN1CCN(CC1)Cc1ccccc1

STK550542
Synonyms: 2-(4-benzylpiperazin-1-yl)-N'-[(E)-(2-nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-]

STK550544
Synonyms: (5Z)-1-(3-chloro-4-methylphenyl)-5-{[1-(3-phenoxypropyl)-1H-indol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)N(C(=O)/C/1=C\c1cn(c2c1cccc2)CCCOc1ccccc1)c1ccc(c(c1)Cl)C

STK550545
Synonyms: 2-(4-fluorophenyl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Smiles: CC(C12CN3CC(C2=O)(CN(C1)C3c1ccc(cc1)F)C(C)C)C

STK550546
Synonyms: 2-oxo-N-(2-phenylethyl)-2H-pyran-5-carboxamide
Smiles: O=c1ccc(co1)C(=O)NCCc1ccccc1

STK550548
Synonyms: 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N'-[(E)-(4-chlorophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(s1)SCc1ccccc1)N/N=C/c1ccc(cc1)Cl

STK550549
Synonyms: N,4-dibutyl-2,3,5a,10b-tetrahydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine
Smiles: CCCCNc1ncnc2c1SC1C2C2=C(C(=N1)CCCC)CCC2

STK550550
Synonyms: 8-chloro-10-[3-(trifluoromethyl)phenyl]pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
Smiles: Clc1ccc2c(c1)n(c1cccc(c1)C(F)(F)F)c1c(c2)c(=O)[nH]c(=O)n1

STK550551
Synonyms: N-(2,4-dimethoxyphenyl)-11-(3,4-dimethoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1ccc(c(c1)OC)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(c(c2)OC)OC)c(nn1c1ccccc1)C

STK550552
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-nitrophenyl)methylidene]-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1COc1ccccc1)c1nonc1N)N/N=C/c1ccc(cc1)[N+](=O)[O-]

STK550553
Synonyms: N-(4-chlorophenyl)-2-{[5-(methylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
Smiles: CSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1ccc(cc1)Cl)nn2)CCCC3

STK550554
Synonyms: (8R,8aS,11aR)-N-(4-chlorophenyl)-10-(4-methylphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-8-carboxamide
Smiles: Cc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1N([C@H]2C(=O)Nc2ccc(cc2)Cl)N=Cc2c1cccc2

STK550555
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(2Z)-butan-2-ylidene]-5-(3-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CC/C(=N\NC(=O)c1nnn(c1c1cccc(c1)[N+](=O)[O-])c1nonc1N)/C

STK550556
Synonyms: 8-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5H-pyrimido[5,4-b]indol-4-amine
Smiles: COc1cc(CCN(c2ncnc3c2[nH]c2c3cc(cc2)Cl)C)ccc1OC

STK550559
Synonyms: tert-butyl(2'R,3'R)-2'-(2,4-dimethoxyphenyl)-1,3-dioxo-1,2',3,3'-tetrahydro-10b'H-spiro[indene-2,1'-pyrrolo[2,1-a]phthalazine]-3'-carboxylate
Smiles: COc1ccc(c(c1)OC)[C@H]1[C@H](C(=O)OC(C)(C)C)N2C([C@@]31C(=O)c1c(C3=O)cccc1)c1ccccc1C=N2

STK550562
Synonyms: 1-amino-N-(2-chlorophenyl)-8,8-dimethyl-5-(morpholin-4-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
Smiles: O=C(c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCOCC1)Nc1ccccc1Cl

STK550563
Synonyms: 4-(4-ethoxyphenyl)-N-(naphthalen-2-yl)phthalazin-1-amine
Smiles: CCOc1ccc(cc1)c1nnc(c2c1cccc2)Nc1ccc2c(c1)cccc2

STK550564
Synonyms: ethyl1-{3-[1-cyano-2-(2-methoxyethoxy)-2-oxoethyl]quinoxalin-2-yl}piperidine-4-carboxylate
Smiles: COCCOC(=O)C(c1nc2ccccc2nc1N1CCC(CC1)C(=O)OCC)C#N

STK550565
Synonyms: 2-(4-chlorophenyl)-3-[3-(2,3,6-trimethylphenoxy)propyl]quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCOc1c(C)ccc(c1C)C

STK550566
Synonyms: ethyl3-{[3-(4-methylpiperidin-1-yl)propanoyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCC(CC1)C)cccc2

STK550567
Synonyms: 3-(2-chlorophenyl)-6-iodo-2-[(E)-2-(3-methylphenyl)ethenyl]quinazolin-4(3H)-one
Smiles: Cc1cccc(c1)/C=C/c1nc2ccc(cc2c(=O)n1c1ccccc1Cl)I

STK550568
Synonyms: 12-hexyl-9-(hexylsulfanyl)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-7(12H)-one
Smiles: CCCCCCSc1nnc2n1c(=O)c1c(n2CCCCCC)c2ccccc2CC21CCCCC2

STK550569
Synonyms: 4-[(4-chlorobenzyl)sulfanyl]-6-ethyl-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCC1(C)OCc2c(C1)c1c(SCc3ccc(cc3)Cl)nc(nc1s2)SC

STK550570
Synonyms: 2-[(E)-2-(2-chlorophenyl)ethenyl]-6-iodo-3-(naphthalen-2-yl)quinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccccc1Cl)c1ccc2c(c1)cccc2

STK550571
Synonyms: N-(4-chlorophenyl)-11-(2,3-dimethoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1cccc(c1OC)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(cc1)Cl)c1ccccc1

STK550574
Synonyms: 3-(3-methoxyphenyl)-2-[(2-methylbenzyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: COc1cccc(c1)n1c(SCc2ccccc2C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK550576
Synonyms: (5Z)-1-(3-chloro-4-methylphenyl)-5-({1-[2-(3-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Cc1cccc(c1)OCCn1cc(c2c1cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(c(c1)Cl)C

STK550577
Synonyms: 5-methyl-3-phenyl-N-{[2-(pyridin-3-ylcarbonyl)hydrazinyl]carbonothioyl}-1,2-oxazole-4-carboxamide
Smiles: S=C(NC(=O)c1c(C)onc1c1ccccc1)NNC(=O)c1cccnc1

STK550579
Synonyms: (5Z)-1-(3-chloro-4-methoxyphenyl)-5-{[1-(3-methylbenzyl)-1H-indol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(cc1Cl)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)Cc2cccc(c2)C)/C1=O

STK550580
Synonyms: 3-[5-(4-bromophenoxy)pentyl]-2-(4-chlorophenyl)quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCOc1ccc(cc1)Br

STK550581
Synonyms: propan-2-yl2-amino-1-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: CC(OC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1C)C)C

STK550584
Synonyms: 4-[5-(4-bromophenyl)-3'-(4-methylphenyl)-1'-phenyl-4,5-dihydro-1H,1'H-3,4'-bipyrazol-1-yl]-4-oxobutanoicacid
Smiles: OC(=O)CCC(=O)N1N=C(CC1c1ccc(cc1)Br)c1cn(nc1c1ccc(cc1)C)c1ccccc1

STK550585
Synonyms: 2-amino-1-(1,3-benzodioxol-5-yl)-N-(3-methoxypropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: COCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc2c(c1)OCO2

STK550586
Synonyms: N-(3-methylphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2cccc(c2)C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550587
Synonyms: 2-{2-[(5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione
Smiles: CCc1nc2sc3c(c2c2n1c(SCCN1C(=O)c4c(C1=O)cccc4)nn2)CC(OC3)(C)C

STK550588
Synonyms: N-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
Smiles: CN1CCN(CC1)c1nc(Nc2ccc(cc2)Cl)c(c(n1)N)[N+](=O)[O-]

STK550589
Synonyms: 4-{6-[(3-chloro-4-methoxyphenyl)amino]-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl}-2-methoxyphenol
Smiles: COc1ccc(cc1Cl)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(c(c2)OC)O)c(nn1c1ccccc1)C

STK550590
Synonyms: 2-[(Z)-(5-bromo-1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-3-(2-methylphenyl)quinazolin-4(3H)-one
Smiles: CCN1c2ccc(cc2/C(=C/c2nc3ccccc3c(=O)n2c2ccccc2C)/C1=O)Br

STK550591
Synonyms: 4-{(Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}phenylacetate
Smiles: N#C/C(=C/c1ccc(cc1)OC(=O)C)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK550595
Synonyms: (8R,8aS,11aR)-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(4-methoxyphenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)OCCO2)cccc3

STK550596
Synonyms: 4-{6-[(4-butylphenyl)amino]-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl}-2-methoxyphenol
Smiles: CCCCc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(c(c2)OC)O)c(nn1c1ccccc1)C

STK550601
Synonyms: 2-[(6,6-dimethyl-4-oxo-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(naphthalen-1-yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CC(OC3)(C)C

STK550602
Synonyms: (2E)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-fluorobenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]ethanamide
Smiles: N#C/C(=C/1\SC(C(=O)N1c1ccccc1)Cc1ccc(cc1)F)/C(=O)NCCc1ccc(c(c1)OC)OC

STK550603
Synonyms: 2-[4-(3-methylbutoxy)phenyl]-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclopentane]
Smiles: CC(CCOc1ccc(cc1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2)C

STK550604
Synonyms: (4Z)-4-[(1-acetyl-3-phenyl-1H-pyrazol-4-yl)methylidene]-2-(2-chloro-4-nitrophenyl)-1,3-oxazol-5(4H)-one
Smiles: O=C1OC(=N/C/1=C\c1cn(nc1c1ccccc1)C(=O)C)c1ccc(cc1Cl)[N+](=O)[O-]

STK550605
Synonyms: 4-chloro-N-{3-[4-(diphenylmethyl)piperazin-1-yl]quinoxalin-2-yl}benzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1N1CCN(CC1)C(c1ccccc1)c1ccccc1

STK550606
Synonyms: 2,4-dichloro-N-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}carbonothioyl)benzamide
Smiles: Clc1ccc(c(c1)Cl)C(=O)NC(=S)N1CCN(CC1)C/C=C/c1ccccc1

STK550607
Synonyms: N-cyclohexyl-6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: CSc1nc(NC2CCCCC2)c2c(n1)sc1c2CC(OC1)(C)C

STK550610
Synonyms: (9E)-9-(4-fluorobenzylidene)-5-(4-fluorophenyl)-7-methyl-3-phenyl-6,7,8,9-tetrahydro-5H-pyrido[4,3-d][1,3]thiazolo[3,2-a]pyrimidine
Smiles: CN1C/C(=C\c2ccc(cc2)F)/C2=C(C1)C(c1ccc(cc1)F)n1c(=N2)scc1c1ccccc1

STK550614
Synonyms: 2-{[4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Smiles: CC(Cc1nc2sc3c(c2c2c1CCC2)ncnc3SCC(=O)NCCc1ccccc1)C

STK550615
Synonyms: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodo-3-(naphthalen-1-yl)quinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccc2c(c1)OCO2)c1cccc2c1cccc2

STK550616
Synonyms: (9E)-9-(4-chlorobenzylidene)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-7-methyl-6,7,8,9-tetrahydro-5H-pyrido[4,3-d][1,3]thiazolo[3,2-a]pyrimidine
Smiles: CN1C/C(=C\c2ccc(cc2)Cl)/C2=C(C1)C(c1ccc(cc1)Cl)n1c(=N2)scc1c1ccc(cc1)F

STK550617
Synonyms: (6aS,6bR,9aS,10R)-8-(4-bromophenyl)-10-(2,2-dimethylpropanoyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Brc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)C(C)(C)C

STK550618
Synonyms: ethyl7-({[4-(2-fluorophenyl)piperazin-1-yl]acetyl}amino)-5H-[1,3]dioxolo[4,5-f]indole-6-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)c1ccccc1F)cc1c(c2)OCO1

STK550619
Synonyms: 4-{6-[(4-bromophenyl)amino]-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl}-2-methoxyphenol
Smiles: COc1cc(ccc1O)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(cc1)Br)c1ccccc1

STK550620
Synonyms: 1-ethyl-2-imino-8-methyl-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Smiles: CCn1c2nc3ccc(cn3c(=O)c2cc(c1=N)S(=O)(=O)c1ccccc1)C

STK550621
Synonyms: methyl2-[(8R,8aS,11aR)-8-[(4-methoxyphenyl)carbonyl]-9,11-dioxo-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazin-10(11H)-yl]benzoate
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1C(=O)OC)cccc3

STK550622
Synonyms: (2E)-N-(4-butylphenyl)-2-cyano-2-[5-(4-methoxybenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]ethanamide
Smiles: CCCCc1ccc(cc1)NC(=O)/C(=C\1/SC(C(=O)N1c1ccccc1)Cc1ccc(cc1)OC)/C#N

STK550623
Synonyms: 2-[(4-methylbenzyl)sulfanyl]-3-propyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CCCn1c(SCc2ccc(cc2)C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550624
Synonyms: 4-bromo-N-[2-(naphthalen-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
Smiles: Brc1ccc(cc1)C(=O)Nc1c(nc2n1cccc2)c1ccc2c(c1)cccc2

STK550625
Synonyms: N~4~-(4-chlorophenyl)-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine
Smiles: Clc1ccc(cc1)Nc1nc(NCCc2ccccc2)nc(c1[N+](=O)[O-])N

STK550626
Synonyms: N-carbamimidoyl-4-({(E)-2-cyano-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzenesulfonamide
Smiles: N#C/C(=C\Nc1ccc(cc1)S(=O)(=O)NC(=N)N)/c1scc(n1)c1ccc(cc1)CC

STK550627
Synonyms: (5Z)-5-({1-[2-(4-chloro-2-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-1-(4-ethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCOc2ccc(cc2C)Cl)/C1=O

STK550628
Synonyms: (6aS,6bR,9aS,10R)-N,8-bis(4-nitrophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Smiles: O=C([C@@H]1N2c3ccccc3C=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])Nc1ccc(cc1)[N+](=O)[O-]

STK550629
Synonyms: propan-2-yl2-amino-1-(3,4-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: CC(OC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(c(c1)C)C)C

STK550630
Synonyms: 2-{[2-(4-butoxyphenyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(4-nitrophenyl)ethanone
Smiles: CCCCOc1ccc(cc1)c1nc(SCC(=O)c2ccc(cc2)[N+](=O)[O-])c2c(n1)sc1c2CC(OC1)(C)C

STK550631
Synonyms: N'~1~,N'~8~-bis[(3Z)-5,7-dibromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene]octanedihydrazide
Smiles: O=C(N/N=C/1\C(=O)Nc2c1cc(Br)cc2Br)CCCCCCC(=O)N/N=C/1\C(=O)Nc2c1cc(Br)cc2Br

STK550632
Synonyms: (6aS,6bR,9aS,10R)-8-(2-chlorophenyl)-10-[(4-chlorophenyl)carbonyl]-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Clc1ccc(cc1)C(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccccc1Cl)C=Cc1c2cccc1

STK550634
Synonyms: (4bR,7aS,8R)-6-(2,4-dimethylphenyl)-8-[(4-methoxyphenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=CC=CC2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1C)C

STK550635
Synonyms: 1-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-2-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN1CCc3c(C1)cccc3)c(n2Cc1ccccc1)C

STK550636
Synonyms: (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(2,6-dimethylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1c(C)cccc1C)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK550638
Synonyms: ethyl4-{2-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-iodo-4-oxoquinazolin-3(4H)-yl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1c(/C=C/c2ccc(cc2)O)nc2c(c1=O)cc(cc2)I

STK550639
Synonyms: 1-methoxypropan-2-yl2-amino-1-(3-butoxypropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: CCCCOCCCn1c2nc3ccccc3nc2c(c1N)C(=O)OC(COC)C

STK550640
Synonyms: 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N'-[(E)-(2,3-dimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cccc(c1OC)/C=N/NC(=O)CSc1nnc(s1)SCc1ccc(cc1)Cl

STK550641
Synonyms: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethylphenyl)-5,6-diphenyl-1H-imidazo[1,2-a]imidazole
Smiles: CCc1ccc(cc1)c1cn2c(n1CCc1ccc(c(c1)OC)OC)nc(c2c1ccccc1)c1ccccc1

STK550642
Synonyms: N-(3-methylphenyl)-2-{[3-(3-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCC3

STK550643
Synonyms: 1-(4-chlorophenyl)-2-[(5-ethyl-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]ethanone
Smiles: CCc1nc2sc3c(c2c2n1c(SCC(=O)c1ccc(cc1)Cl)nn2)CCC3

STK550644
Synonyms: 2-[(2,4-dichlorobenzyl)sulfanyl]-6-propyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: CCCC1OCc2c(C1)c1c(N)nc(nc1s2)SCc1ccc(cc1Cl)Cl

STK550646
Synonyms: 2-[(7,7-dimethyl-5-oxo-4-phenyl-4,5,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-(naphthalen-1-yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CC(OC3)(C)C

STK550647
Synonyms: N-benzyl-2-{[3-(furan-2-ylmethyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide
Smiles: O=C(CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3)NCc1ccccc1

STK550648
Synonyms: N-(3-chlorophenyl)-4-(4-ethoxyphenyl)phthalazin-1-amine
Smiles: CCOc1ccc(cc1)c1nnc(c2c1cccc2)Nc1cccc(c1)Cl

STK550649
Synonyms: 8-{(2E)-2-[4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzylidene]hydrazinyl}quinoline
Smiles: c1ccc(cc1)C1CC(=NN1c1ccc(cc1)/C=N/Nc1cccc2c1nccc2)c1ccccc1

STK550651
Synonyms: N'-(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)-N,N-dimethylpropane-1,3-diamine
Smiles: CN(CCCNc1ncnc2c1[nH]c1c2cc(cc1)Br)C

STK550652
Synonyms: 2-(methoxycarbonyl)phenyl1-chloro-4-(4-nitrophenyl)-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylate
Smiles: COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)C1C(Cl)C(CC1C(N2)c1ccc(cc1)[N+](=O)[O-])Sc1ccccc1[N+](=O)[O-]

STK550656
Synonyms: N-(2-ethoxyphenyl)-10-methyl-11-(3-nitrophenyl)-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCOc1ccccc1Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1cccc(c1)[N+](=O)[O-])C)c1ccccc1

STK550657
Synonyms: 2,2'-{[12-(propan-2-yl)-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine-3,7-diyl]disulfanediyl}diacetamide
Smiles: NC(=O)CSc1nnc2n1c1nnc(n1c1c2c2CC(OCc2s1)C(C)C)SCC(=O)N

STK550658
Synonyms: 3-(3-methoxyphenyl)-2-[(3-methylbenzyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: COc1cccc(c1)n1c(SCc2cccc(c2)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK550659
Synonyms: 4-[10-methyl-8-phenyl-6-(phenylamino)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl]benzene-1,2-diol
Smiles: Oc1cc(ccc1O)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccccc1)c1ccccc1

STK550661
Synonyms: 2-(methoxycarbonyl)phenyl4-(4-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate
Smiles: COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)C1C=CCC1C(N2)c1ccc(cc1)[N+](=O)[O-]

STK550662
Synonyms: 3-butyl-2-(pentylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CCCCn1c(SCCCCC)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550663
Synonyms: ethyl(2Z)-3,4-dihydroquinolin-1(2H)-yl[2-(4-nitrophenyl)hydrazinylidene]ethanoate
Smiles: CCOC(=O)/C(=N/Nc1ccc(cc1)[N+](=O)[O-])/N1CCCc2c1cccc2

STK550665
Synonyms: 3-(furan-2-ylmethyl)-2-(propylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CCCSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK550666
Synonyms: 1-[(4-bromobenzyl)sulfanyl]-4-(4-methoxyphenyl)-7-(propan-2-yl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: COc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CC(OCc1s2)C(C)C)SCc1ccc(cc1)Br

STK550667
Synonyms: [(4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetonitrile
Smiles: CCCn1c(SCC#N)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550670
Synonyms: 2-({5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1nnc(s1)SCc1cccc2c1cccc2

STK550671
Synonyms: 3-(4-methylphenyl)-N-(naphthalen-1-yl)-3-[4-(propan-2-yloxy)phenyl]propanamide
Smiles: Cc1ccc(cc1)C(c1ccc(cc1)OC(C)C)CC(=O)Nc1cccc2c1cccc2

STK550672
Synonyms: N-(furan-2-ylmethyl)-5-nitro-2-(piperidin-1-yl)pyrimidine-4,6-diamine
Smiles: [O-][N+](=O)c1c(NCc2ccco2)nc(nc1N)N1CCCCC1

STK550673
Synonyms: 2-(methoxycarbonyl)phenyl1-chloro-4-(3-nitrophenyl)-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylate
Smiles: COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)C1C(Cl)C(CC1C(N2)c1cccc(c1)[N+](=O)[O-])Sc1ccccc1[N+](=O)[O-]

STK550674
Synonyms: (2'R,3'R)-2'-(2,4-dimethoxyphenyl)-3'-(2,2-dimethylpropanoyl)-2',3'-dihydro-10b'H-spiro[indene-2,1'-pyrrolo[2,1-a]phthalazine]-1,3-dione
Smiles: COc1ccc(c(c1)OC)[C@H]1[C@@H](N2C([C@@]31C(=O)c1c(C3=O)cccc1)c1ccccc1C=N2)C(=O)C(C)(C)C

STK550676
Synonyms: 3-(3-methoxypropyl)-11-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: COCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccccc1

STK550677
Synonyms: (8R,8aS,11aR)-8-[(4-chlorophenyl)carbonyl]-10-(3-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: Clc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-])cccc3

STK550678
Synonyms: N-(2,3-dichlorophenyl)-7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Smiles: CC1CCCN(C1)c1cc(Nc2cccc(c2Cl)Cl)c(c2c1non2)[N+](=O)[O-]

STK550679
Synonyms: ethyl7-{[(4-benzylpiperazin-1-yl)acetyl]amino}-5H-[1,3]dioxolo[4,5-f]indole-6-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)Cc1ccccc1)cc1c(c2)OCO1

STK550683
Synonyms: (2E)-2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-3-[(3,4,5-trimethoxyphenyl)amino]prop-2-enenitrile
Smiles: COc1cccc(c1)c1csc(n1)/C(=C/Nc1cc(OC)c(c(c1)OC)OC)/C#N

STK550684
Synonyms: ethyl4-{6-iodo-2-[(E)-2-(3-nitrophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1c(/C=C/c2cccc(c2)[N+](=O)[O-])nc2c(c1=O)cc(cc2)I

STK550685
Synonyms: 3-chloro-N-[2-(naphthalen-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
Smiles: Clc1cccc(c1)C(=O)Nc1c(nc2n1cccc2)c1ccc2c(c1)cccc2

STK550686
Synonyms: tert-butyl(8R,8aS,11aR)-10-(4-nitrophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-8-carboxylate
Smiles: O=C([C@H]1[C@H]2C(=O)N(C(=O)[C@H]2C2N1N=Cc1c2cccc1)c1ccc(cc1)[N+](=O)[O-])OC(C)(C)C

STK550687
Synonyms: N~4~-(furan-2-ylmethyl)-N~2~-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COCCCNc1nc(NCc2ccco2)c(c(n1)N)[N+](=O)[O-]

STK550688
Synonyms: (9E)-7-methyl-9-(4-methylbenzylidene)-5-(4-methylphenyl)-3-phenyl-6,7,8,9-tetrahydro-5H-pyrido[4,3-d][1,3]thiazolo[3,2-a]pyrimidine
Smiles: CN1C/C(=C\c2ccc(cc2)C)/C2=C(C1)C(c1ccc(cc1)C)n1c(=N2)scc1c1ccccc1

STK550692
Synonyms: 2-[(7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nc(nc2c1COC(C2)(C)C)c1ccccc1

STK550693
Synonyms: 3,5-dinitro-N-[1-(1-pentyl-1H-benzimidazol-2-yl)ethyl]benzamide
Smiles: CCCCCn1c(nc2c1cccc2)C(NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])C

STK550694
Synonyms: N-(2,1,3-benzoxadiazol-4-yl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
Smiles: O=c1cc(C)c(c(o1)C)C(=O)Nc1cccc2c1non2

STK550695
Synonyms: N-(4-chlorophenyl)-11-(4-fluorophenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Fc1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(cc1)Cl)c1ccccc1

STK550696
Synonyms: O-(4-nitrophenyl)O,O-diphenylphosphorothioate
Smiles: S=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccc(cc1)[N+](=O)[O-]

STK550698
Synonyms: N'-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]-2,4-dichlorobenzohydrazide
Smiles: Clc1ccc(c(c1)Cl)C(=O)NNc1nc2ccc(cc2c(n1)c1ccccc1Cl)Br

STK550700
Synonyms: 3-ethyl-2-[(4-methylbenzyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: CCn1c(SCc2ccc(cc2)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK550701
Synonyms: (5Z)-5-[4-(dimethylamino)-3-nitrobenzylidene]-1-(2-ethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(c(c2)[N+](=O)[O-])N(C)C)/C1=O

STK550703
Synonyms: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-3-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrimidin-4(1H)-one
Smiles: COc1cc2CCNC(c2cc1OC)c1c(O)[nH]c(=S)n(c1=O)c1cccc(c1)C(F)(F)F

STK550704
Synonyms: 11-(3-bromophenyl)-10-methyl-N-(3-methylphenyl)-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Brc1cccc(c1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1cccc(c1)C)c1ccccc1

STK550705
Synonyms: N-(3-bromophenyl)-2-{(2Z)-2-[(2E)-(4-chlorobenzylidene)hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl}acetamide
Smiles: O=C(CC1S/C(=N\N=C\c2ccc(cc2)Cl)/NC1=O)Nc1cccc(c1)Br

STK550706
Synonyms: 2-[(2,2-diethoxyethyl)sulfanyl]-6-(propan-2-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: CCOC(CSc1nc(N)c2c(n1)sc1c2CC(OC1)C(C)C)OCC

STK550707
Synonyms: 2-[(2,4-dichlorobenzyl)sulfanyl]-3-(2-methylprop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CC(=C)Cn1c(SCc2ccc(cc2Cl)Cl)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550708
Synonyms: 11-(3-chlorophenyl)-3-(2,5-dichlorophenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: Clc1ccc(c(c1)n1cnc2c(c1=O)c1nc3ccccc3nc1n2c1cccc(c1)Cl)Cl

STK550709
Synonyms: 9-tert-butylanthra[1,2-b]benzo[d]thiophene-5,13-dione
Smiles: O=C1c2ccccc2C(=O)c2c1c1sc3c(c1cc2)cc(cc3)C(C)(C)C

STK550711
Synonyms: 7,8-dimethoxy-4-(thiomorpholin-4-yl)-5H-pyrimido[5,4-b]indole
Smiles: COc1cc2c(cc1OC)[nH]c1c2ncnc1N1CCSCC1

STK550713
Synonyms: 4-[5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoicacid
Smiles: COc1cc(ccc1OC)C1=NN(C(C1)c1ccc(cc1)Cl)C(=O)CCC(=O)O

STK550714
Synonyms: (2E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-{[2-(difluoromethoxy)phenyl]amino}prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccccc1OC(F)F)/c1scc(n1)c1cccc(c1)Br

STK550715
Synonyms: N'-[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]propanehydrazide
Smiles: CCC(=O)NNc1nc(SC)nc2c1c1CC(C)(C)OCc1s2

STK550716
Synonyms: (8R,8aS,11aR)-8-acetyl-10-(4-fluorophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: CC(=O)[C@H]1[C@H]2C(=O)N(C(=O)[C@H]2C2N1N=Cc1c2cccc1)c1ccc(cc1)F

STK550717
Synonyms: 3,3'-{[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]imino}dipropanoicacid(non-preferredname)
Smiles: CSc1nnc(s1)N(CCC(=O)O)CCC(=O)O

STK550718
Synonyms: 2-[(2,6-dichlorobenzyl)sulfanyl]-3-(4-methoxyphenyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: COc1ccc(cc1)n1c(SCc2c(Cl)cccc2Cl)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK550719
Synonyms: N,N-diethyl-2-{[3-(3-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide
Smiles: CCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)OC)CCCC3)CC

STK550720
Synonyms: 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N'-[(E)-(4-bromophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(s1)SCc1ccccc1)N/N=C/c1ccc(cc1)Br

STK550721
Synonyms: N-tert-butyl-2-(2-fluorophenyl)quinazolin-4-amine
Smiles: Fc1ccccc1c1nc(NC(C)(C)C)c2c(n1)cccc2

STK550722
Synonyms: ethyl5-bromo-3-{[3-(4-methylpiperidin-1-yl)propanoyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCC(CC1)C)cc(cc2)Br

STK550724
Synonyms: N-(3-methoxyphenyl)-2-{[4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1ncnc2c1sc1c2c2CCCc2c(n1)CC(C)C

STK550725
Synonyms: 2-(4-butoxyphenyl)-4-[(2,4-dichlorobenzyl)sulfanyl]-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCCCOc1ccc(cc1)c1nc(SCc2ccc(cc2Cl)Cl)c2c(n1)sc1c2CC(OC1)(C)C

STK550727
Synonyms: (3S,3a'R,8a'S,8b'S)-2'-(4-nitrophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: O=C1N(c2ccc(cc2)[N+](=O)[O-])C(=O)[C@@H]2[C@H]1[C@@H]1CCCN1[C@]12C(=O)Nc2c1cccc2

STK550729
Synonyms: 5-(1H-benzimidazol-2-ylmethylidene)-1,3-diphenylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1N(c2ccccc2)C(=O)/C(=C/c2nc3c([nH]2)cccc3)/C(=O)N1c1ccccc1

STK550730
Synonyms: N~6~-(2-chlorophenyl)-N~4~-ethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine
Smiles: CCNc1cc(Nc2ccccc2Cl)c(c2c1non2)[N+](=O)[O-]

STK550731
Synonyms: (2E)-2-cyano-N-(2,3-dimethylphenyl)-2-[5-(4-methoxybenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]ethanamide
Smiles: N#C/C(=C/1\SC(C(=O)N1c1ccccc1)Cc1ccc(cc1)OC)/C(=O)Nc1cccc(c1C)C

STK550732
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide
Smiles: O=C(Nc1ccc(cc1)N(C)C)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1

STK550733
Synonyms: 8-chloro-N-(3,4-dimethoxybenzyl)-5H-pyrimido[5,4-b]indol-4-amine
Smiles: COc1cc(CNc2ncnc3c2[nH]c2c3cc(cc2)Cl)ccc1OC

STK550734
Synonyms: 2-(methoxycarbonyl)phenyl4-(4-bromophenyl)-1-chloro-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylate
Smiles: COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)C1C(Cl)C(CC1C(N2)c1ccc(cc1)Br)Sc1ccccc1[N+](=O)[O-]

STK550735
Synonyms: 11-(3,4-dichlorophenyl)-N-(3,5-dimethylphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Cc1cc(cc(c1)C)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(c(c2)Cl)Cl)c(nn1c1ccccc1)C

STK550736
Synonyms: 3-butyl-2-(methylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CCCCn1c(SC)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550737
Synonyms: 4-[(3aR,6aS)-3-(3-nitrophenyl)-4,6-dioxo-3a,4,6,6a-tetrahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)ON=C2c1cccc(c1)[N+](=O)[O-]

STK550738
Synonyms: 2-[(Z)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-6-methoxyphenylacetate
Smiles: COc1cccc(c1OC(=O)C)/C=N\NC(=O)c1nnn(c1CN1CCOCC1)c1nonc1N

STK550739
Synonyms: (8S,8aR,11aS,11bS)-8-(2,2-dimethylpropanoyl)-10-(2-methoxyphenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: COc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)C(C)(C)C)C=Cc2c1cccc2

STK550740
Synonyms: 5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-(naphthalen-1-yl)-4H-1,2,4-triazole-3-thiol
Smiles: Fc1ccc(cc1)c1n[nH]c(c1)c1nnc(n1c1cccc2c1cccc2)S

STK550741
Synonyms: 3-bromo-2-oxo-N-(2-phenylethyl)-2H-pyran-5-carboxamide
Smiles: O=C(c1coc(=O)c(c1)Br)NCCc1ccccc1

STK550744
Synonyms: N-(2-{(2E)-2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl}-2-oxoethyl)-2-phenylacetamide(non-preferredname)
Smiles: COc1cc(OC)ccc1/C(=N/NC(=O)CNC(=O)Cc1ccccc1)/C

STK550745
Synonyms: methyl4-({(2E,5Z)-5-[3-ethoxy-4-(prop-2-en-1-yloxy)benzylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoate
Smiles: C=CCOc1ccc(cc1OCC)/C=C/1\S/C(=N/c2ccc(cc2)C(=O)OC)/N(C1=O)C

STK550746
Synonyms: tert-butyl(2'R,3'R)-2'-(4-nitrophenyl)-1,3-dioxo-1,2',3,3'-tetrahydro-10b'H-spiro[indene-2,1'-pyrrolo[2,1-a]phthalazine]-3'-carboxylate
Smiles: O=C([C@@H]1N2N=Cc3c(C2[C@@]2([C@H]1c1ccc(cc1)[N+](=O)[O-])C(=O)c1c(C2=O)cccc1)cccc3)OC(C)(C)C

STK550748
Synonyms: (4bR,7aS,8R)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(4-methoxyphenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=CC=CC2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)OCCO2

STK550749
Synonyms: 5-(2-chlorophenyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Clc1ccccc1c1nc2sc3c(c2c2n1cnn2)CCCC3

STK550750
Synonyms: 2-chloro-6-ethoxy-3-[3-phenyl-1-(phenylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline
Smiles: CCOc1ccc2c(c1)cc(c(n2)Cl)C1CC(=NN1S(=O)(=O)c1ccccc1)c1ccccc1

STK550751
Synonyms: (5Z)-3-(2-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)c1ccccc1Cl

STK550753
Synonyms: (5Z)-5-{[5-(4-bromophenyl)furan-2-yl]methylidene}-1-[4-(butan-2-yl)phenyl]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCC(c1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2ccc(o2)c2ccc(cc2)Br)/C1=O)C

STK550754
Synonyms: 2-[(5-hydrazinyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide
Smiles: NNc1nc2sc3c(c2c2n1c(SCC(=O)NCCc1ccccc1)nn2)CCCC3

STK550756
Synonyms: N,N-diethyl-N'-(10-methyl-8,11-diphenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-yl)benzene-1,4-diamine
Smiles: CCN(c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccccc2)c(nn1c1ccccc1)C)CC

STK550757
Synonyms: N-(2,3-dimethylphenyl)-N-[(2-hydroxy-8-methylquinolin-3-yl)methyl]-2-methylbenzamide
Smiles: Oc1nc2c(C)cccc2cc1CN(c1cccc(c1C)C)C(=O)c1ccccc1C

STK550758
Synonyms: 6-iodo-2-[(E)-2-(2-methylphenyl)ethenyl]-3-(naphthalen-1-yl)quinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccccc1C)c1cccc2c1cccc2

STK550760
Synonyms: 3-butyl-5-imino-1-methyl-7-phenyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
Smiles: CCCCC1OC2(C)OC(=N)C1(C#N)C(C2c1ccccc1)(C#N)C#N

STK550761
Synonyms: ethyl5-bromo-3-({3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoyl}amino)-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)c1ccccc1OC)cc(cc2)Br

STK550762
Synonyms: (4bR,7aS,8R)-6-(4-bromophenyl)-8-(phenylcarbonyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: Brc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1N([C@H]2C(=O)c2ccccc2)N=CC=C1

STK550763
Synonyms: methyl4-[9-bromo-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1Oc2ccc(cc2C2N1N=C(C2)c1cccs1)Br

STK550764
Synonyms: 4-(5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexan]-2-yl)phenol
Smiles: Oc1ccc(cc1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCCC2

STK550766
Synonyms: 3-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-8-bromo-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: Brc1ccc2c(c1)c1nc(C)n(c(=O)c1[nH]2)/N=C/c1ccc2c(c1)OCO2

STK550767
Synonyms: 2-[(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-phenylacetamide
Smiles: CCn1c(SCC(=O)Nc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK550768
Synonyms: 5-[3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoicacid
Smiles: OC(=O)CCCC(=O)N1N=C(CC1c1ccc(cc1Cl)Cl)c1c(=O)[nH]c2c(c1c1ccccc1)cc(cc2)Cl

STK550769
Synonyms: (5Z)-3-(3-methylphenyl)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: C/C(=C\c1ccccc1)/C=C/1\SC(=S)N(C1=O)c1cccc(c1)C

STK550770
Synonyms: N-(furan-2-ylmethyl)-2-(pyridin-2-yl)quinazolin-4-amine
Smiles: c1ccc(nc1)c1nc(NCc2ccco2)c2c(n1)cccc2

STK550772
Synonyms: 9-hydroxy-N'-[(E)-(4-methoxyphenyl)methylidene]-9H-fluorene-9-carbohydrazide
Smiles: COc1ccc(cc1)/C=N/NC(=O)C1(O)c2ccccc2c2c1cccc2

STK550773
Synonyms: 11-(4-tert-butylphenyl)-10-methyl-N,8-diphenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Cc1nn(c2c1C(c1ccc(cc1)C(C)(C)C)n1c(=N2)c(Nc2ccccc2)nc2c1cccc2)c1ccccc1

STK550777
Synonyms: ethyl7-({[4-(2-hydroxyethyl)piperazin-1-yl]acetyl}amino)-5H-[1,3]dioxolo[4,5-f]indole-6-carboxylate
Smiles: OCCN1CCN(CC1)CC(=O)Nc1c([nH]c2c1cc1OCOc1c2)C(=O)OCC

STK550780
Synonyms: 2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}-N-phenylacetamide
Smiles: O=C(Nc1ccccc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCC3

STK550781
Synonyms: (5Z)-1-[4-(butan-2-yl)phenyl]-5-{[1-(4-chlorobenzyl)-1H-indol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCC(c1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)Cc2ccc(cc2)Cl)/C1=O)C

STK550783
Synonyms: 2-{[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(4-fluorophenyl)ethanone
Smiles: CSc1nc(SCC(=O)c2ccc(cc2)F)c2c(n1)sc1c2CC(OC1)(C)C

STK550784
Synonyms: (5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-2-{[3-(trifluoromethyl)phenyl]amino}-1,3-thiazol-4(5H)-one
Smiles: C/C(=C\c1ccccc1)/C=C/1\SC(=NC1=O)Nc1cccc(c1)C(F)(F)F

STK550786
Synonyms: (5Z)-5-({1-[3-(3,4-dimethylphenoxy)propyl]-1H-indol-3-yl}methylidene)-1-(4-ethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCCOc2ccc(c(c2)C)C)/C1=O

STK550787
Synonyms: (2Z)-2-[(5Z)-5-(3-chloro-4-ethoxy-5-methoxybenzylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2-methoxyphenyl)ethanamide
Smiles: CCOc1c(Cl)cc(cc1OC)/C=c/1\s/c(=C(\C(=O)Nc2ccccc2OC)/C#N)/n(c1=O)c1ccccc1

STK550789
Synonyms: 11-(3,5-dimethylphenyl)-3-(2-methoxyphenyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: COc1ccccc1n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2c1cc(C)cc(c1)C

STK550792
Synonyms: 11-(4-tert-butylphenyl)-N-(4-ethoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCOc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)C(C)(C)C)c(nn1c1ccccc1)C

STK550794
Synonyms: (5Z)-5-({1-[2-(2,6-dimethylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-1-(4-ethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCOc2c(C)cccc2C)/C1=O

STK550795
Synonyms: (4Z)-2-(2-chloro-4-nitrophenyl)-4-(4-methoxy-3-nitrobenzylidene)-1,3-oxazol-5(4H)-one
Smiles: COc1ccc(cc1[N+](=O)[O-])/C=C/1\N=C(OC1=O)c1ccc(cc1Cl)[N+](=O)[O-]

STK550796
Synonyms: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(3-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: COc1cccc(c1)n1c(SCC(=O)c2ccc(cc2)Br)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550797
Synonyms: 2-amino-1-(4-chlorobenzyl)-N-hexyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: CCCCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccc(cc1)Cl

STK550800
Synonyms: 11-(3-chlorophenyl)-N-(4-ethoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCOc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2cccc(c2)Cl)c(nn1c1ccccc1)C

STK550801
Synonyms: 2-[4-(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-yl]ethanol
Smiles: OCCN1CCN(CC1)c1ncnc2c1[nH]c1c2cc(cc1)F

STK550802
Synonyms: 1-[3-(furan-2-yl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
Smiles: Cc1ccc(cc1)C1CC(=NN1C(=O)C)c1ccco1

STK550803
Synonyms: 3-(4-chlorophenyl)-2-[(Z)-(1,5-dimethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)n1c(/C=C\2/c3cc(C)ccc3N(C2=O)C)nc2c(c1=O)cccc2

STK550804
Synonyms: N-[2-hydroxy-3-(pyrrolidin-1-yl)propyl]-N-(4-methylphenyl)benzenesulfonamide
Smiles: OC(CN(S(=O)(=O)c1ccccc1)c1ccc(cc1)C)CN1CCCC1

STK550805
Synonyms: 10,10-dimethyl-5-(methylsulfanyl)-3-[(naphthalen-2-ylmethyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(SCc1ccc4c(c1)cccc4)nn2)CC(OC3)(C)C

STK550806
Synonyms: (1'S,2'S,3R,3a'R)-1'-(2,2-dimethylpropanoyl)-2'-(pyridin-3-ylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: O=C([C@@H]1[C@H](N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1)C(=O)C(C)(C)C)c1cccnc1

STK550807
Synonyms: 4-methoxy-N-[2-(naphthalen-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
Smiles: COc1ccc(cc1)C(=O)Nc1c(nc2n1cccc2)c1ccc2c(c1)cccc2

STK550808
Synonyms: 2-[(5-bromo-4-chloropyrimidin-2-yl)oxy]phenol
Smiles: Oc1ccccc1Oc1ncc(c(n1)Cl)Br

STK550809
Synonyms: 2-{[8,8-dimethyl-11-(morpholin-4-yl)-7,10-dihydro-8H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nnc2n1cnc1c2sc2c1c1CC(C)(C)OCc1c(n2)N1CCOCC1

STK550810
Synonyms: methyl2-{[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}propanoate
Smiles: COC(=O)C(Sc1nc(SC)nc2c1c1CC(C)(C)OCc1s2)C

STK550811
Synonyms: 2-[5-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-6-chloro-4-phenylquinazoline
Smiles: Brc1ccc(cc1)C1CC(=NN1c1nc2ccc(cc2c(n1)c1ccccc1)Cl)c1ccc(cc1)C

STK550812
Synonyms: methyl(2E)-[(2Z)-2-{1-cyano-2-[(4-methylphenyl)amino]-2-oxoethylidene}-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]ethanoate
Smiles: COC(=O)/C=c\1/s/c(=C(\C(=O)Nc2ccc(cc2)C)/C#N)/n(c1=O)c1ccccc1

STK550813
Synonyms: (2E)-2-[5-(3-chlorobenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-ethoxyphenyl)ethanamide
Smiles: CCOc1ccc(cc1)NC(=O)/C(=C\1/SC(C(=O)N1c1ccccc1)Cc1cccc(c1)Cl)/C#N

STK550814
Synonyms: 2-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: COc1cc(cc(c1OC)OC)n1c(N)c(c2c1nc1ccccc1n2)C(=O)NCc1ccc2c(c1)OCO2

STK550817
Synonyms: 11-(2,4-dimethoxyphenyl)-3-phenyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: COc1ccc(c(c1)OC)n1c2ncn(c(=O)c2c2c1nc1ccccc1n2)c1ccccc1

STK550818
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylidene}-5-(3-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1ccc(cc1CN1CCOCC1)/C=N/NC(=O)c1nnn(c1c1cccc(c1)[N+](=O)[O-])c1nonc1N

STK550819
Synonyms: 2-[(E)-2-(2-fluorophenyl)ethenyl]-6-iodo-3-(naphthalen-2-yl)quinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccccc1F)c1ccc2c(c1)cccc2

STK550822
Synonyms: 7-(piperidin-1-yl)-4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CC(c1nc2sc3c(c2c2c1CCC2)ncnc3N1CCCCC1)C

STK550823
Synonyms: N-[4-(acetylamino)phenyl]-2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide
Smiles: CC(=C)Cn1c(SCC(=O)Nc2ccc(cc2)NC(=O)C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550824
Synonyms: (5Z)-1-(4-ethylphenyl)-5-({1-[3-(4-methylphenoxy)propyl]-1H-indol-3-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCCOc2ccc(cc2)C)/C1=O

STK550825
Synonyms: 3-[5-(4-chloro-2-methylphenoxy)pentyl]-2-(4-chlorophenyl)quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCOc1ccc(cc1C)Cl

STK550826
Synonyms: (2'R,3'R)-3'-[(4-chlorophenyl)carbonyl]-2'-(4-methoxyphenyl)-2',3'-dihydro-10b'H-spiro[indene-2,1'-pyrrolo[2,1-a]phthalazine]-1,3-dione
Smiles: COc1ccc(cc1)[C@H]1[C@H](C(=O)c2ccc(cc2)Cl)N2C([C@@]31C(=O)c1c(C3=O)cccc1)c1ccccc1C=N2

STK550827
Synonyms: 2-(4-benzylpiperazin-1-yl)-N'-[(E)-(3-methylthiophen-2-yl)methylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccccc1)N/N=C/c1sccc1C

STK550828
Synonyms: 3,4-dimethoxy-N-[(2-{[(1S,2S)-2-phenylcyclopropyl]carbonyl}hydrazinyl)carbonothioyl]benzamide
Smiles: COc1ccc(cc1OC)C(=O)NC(=S)NNC(=O)[C@H]1C[C@@H]1c1ccccc1

STK550829
Synonyms: 5-methyl-2-(propan-2-yl)cyclohexyl[4-(dimethylamino)phenyl][(phenylamino)(3,4,5-trimethoxyphenyl)methyl]phosphinate
Smiles: COc1cc(cc(c1OC)OC)C(P(=O)(c1ccc(cc1)N(C)C)OC1CC(C)CCC1C(C)C)Nc1ccccc1

STK550830
Synonyms: 5-methyl-3-phenyl-N-{[2-(pyrazin-2-ylcarbonyl)hydrazinyl]carbonothioyl}-1,2-oxazole-4-carboxamide
Smiles: S=C(NC(=O)c1c(C)onc1c1ccccc1)NNC(=O)c1cnccn1

STK550831
Synonyms: 2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylpropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: COc1cc(CCNC(=O)c2c(N)n(c3c2nc2ccccc2n3)CC(C)C)ccc1OC

STK550832
Synonyms: (8R,8aS,11aR)-8-[(4-methoxyphenyl)carbonyl]-10-(4-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])cccc3

STK550833
Synonyms: ethyl1-acetyl-7-(3-chlorophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Smiles: CCOC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)c1cccc(c1)Cl)C(=O)C

STK550834
Synonyms: N-(4-chlorophenyl)-2-{[2-(methylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Smiles: CSc1nc(SCC(=O)Nc2ccc(cc2)Cl)c2c(n1)sc1c2CCCC1

STK550836
Synonyms: (2'S,3S,3'S,10b'R)-3'-(2,2-dimethylpropanoyl)-2'-{[4-(2-methylpropyl)phenyl]carbonyl}-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: CC(Cc1ccc(cc1)C(=O)[C@@H]1[C@H](N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2)C(=O)C(C)(C)C)C

STK550837
Synonyms: 8-methyl-N-(2-methylpropyl)-5H-pyrimido[5,4-b]indol-4-amine
Smiles: CC(CNc1ncnc2c1[nH]c1c2cc(cc1)C)C

STK550839
Synonyms: ethyl{[3-(2-methylpropyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCC3

STK550841
Synonyms: 6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrimidin-4(1H)-one
Smiles: Oc1[nH]c(=S)n(c(=O)c1C1NCCc2c1cccc2)c1cccc(c1)C(F)(F)F

STK550844
Synonyms: (5Z)-5-({1-[3-(4-chlorophenoxy)propyl]-1H-indol-3-yl}methylidene)-1-(furan-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Clc1ccc(cc1)OCCCn1cc(c2c1cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)Cc1ccco1

STK550845
Synonyms: 2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyldiphenylacetate
Smiles: O=C(Nc1c(C)cc(cc1C)C)COC(=O)C(c1ccccc1)c1ccccc1

STK550846
Synonyms: 3-[5-(4-chloro-2,6-dimethylphenoxy)pentyl]-2-(4-chlorophenyl)quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCOc1c(C)cc(cc1C)Cl

STK499807
Synonyms:
Smiles: [O-][N](=O)c1ccc2c(c1)nc(n2C)CN1CCN(CC1)S(=O)(=O)c1ccccc1

STL052312
Synonyms: 6-amino-4-(9-ethyl-9H-carbazol-3-yl)-3-(propan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc3c(c1)c1ccccc1n3CC)c([nH]n2)C(C)C

STK580923
Synonyms: 4-[(2E)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Smiles: N(=C\C1=Cc2c(OC1)cccc2)/Nc1ncnc2c1c1CCCCc1s2

STK599405
Synonyms: 4-[(2E)-2-(2,3,4-trimethoxybenzylidene)hydrazinyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Smiles: COc1c(/C=N/Nc2ncnc3c2c2CCCCc2s3)ccc(c1OC)OC

STK550847
Synonyms: 11-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-(2-methoxyethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: COCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2

STK550848
Synonyms: 3-{2-[2-(4-bromo-2,6-dimethylphenoxy)ethoxy]ethyl}-2-(4-chlorophenyl)quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOCCOc1c(C)cc(cc1C)Br

STK550850
Synonyms: 10-(4-chlorophenyl)pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
Smiles: Clc1ccc(cc1)n1c2ccccc2cc2c1nc(=O)[nH]c2=O

STK550851
Synonyms: (8R,8aS,11aR)-8-[(4-methoxyphenyl)carbonyl]-10-(3-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-])cccc3

STK550852
Synonyms: N-(1,3-benzodioxol-5-yl)-11-(4-fluorophenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Fc1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc2c(c1)OCO2)c1ccccc1

STK550854
Synonyms: N-carbamimidoyl-4-({(Z)-2-cyano-2-[4-(naphthalen-2-yl)-1,3-thiazol-2-yl]ethenyl}amino)benzenesulfonamide
Smiles: N#C/C(=C/Nc1ccc(cc1)S(=O)(=O)NC(=N)N)/c1scc(n1)c1ccc2c(c1)cccc2

STK550855
Synonyms: ethyl3-[(3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propanoyl)amino]-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2

STK550856
Synonyms: 4-(benzyloxy)-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)OCc1ccccc1

STK550859
Synonyms: ethyl5-methoxy-3-({[4-(pyridin-2-yl)piperazin-1-yl]acetyl}amino)-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)c1ccccn1)cc(cc2)OC

STK550860
Synonyms: tert-butyl(2'R,3'R)-2'-(4-bromophenyl)-1,3-dioxo-1,2',3,3'-tetrahydro-10b'H-spiro[indene-2,1'-pyrrolo[2,1-a]phthalazine]-3'-carboxylate
Smiles: Brc1ccc(cc1)[C@H]1[C@H](C(=O)OC(C)(C)C)N2C([C@@]31C(=O)c1c(C3=O)cccc1)c1ccccc1C=N2

STK550861
Synonyms: 3-{5-[(2-chlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}pyridine
Smiles: CCOc1ccc(cc1)n1c(SCc2ccccc2Cl)nnc1c1cccnc1

STK550864
Synonyms: 1-[2-(diethylamino)ethyl]-7,7-dimethyl-2-phenyl-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidine-4-thione
Smiles: CCN(CCn1c(nc(=S)c2c1CC(C)(C)OC2)c1ccccc1)CC

STK550865
Synonyms: 2-{2-[(4-amino-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione
Smiles: CCC1(C)OCc2c(C1)c1c(N)nc(nc1s2)SCCN1C(=O)c2c(C1=O)cccc2

STK550866
Synonyms: N-({2-[(6-chloropyridin-3-yl)carbonyl]hydrazinyl}carbonothioyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
Smiles: S=C(NC(=O)c1c(C)onc1c1ccccc1)NNC(=O)c1ccc(nc1)Cl

STK550867
Synonyms: 2-[(2-methylprop-2-en-1-yl)sulfanyl]-6-propyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: CCCC1OCc2c(C1)c1c(N)nc(nc1s2)SCC(=C)C

STK550869
Synonyms: 2-[(2Z)-2-(3,5-diphenylcyclohex-2-en-1-ylidene)hydrazinyl]-4-phenylquinazoline
Smiles: c1ccc(cc1)C1C/C(=N/Nc2nc3ccccc3c(n2)c2ccccc2)/C=C(C1)c1ccccc1

STK550870
Synonyms: 4-fluoro-N-[(5Z)-5-(2-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Smiles: COc1ccccc1/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)F

STK550871
Synonyms: 5-(hexadecylsulfanyl)-3-octyl-1H-1,2,4-triazole
Smiles: CCCCCCCCCCCCCCCCSc1[nH]nc(n1)CCCCCCCC

STK550872
Synonyms: 2-amino-N-(3-methoxypropyl)-1-(3-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: COCCCNC(=O)c1c2nc3ccccc3nc2n(c1N)c1cccc(c1)C

STK550874
Synonyms: N-(2-{(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl}-2-oxoethyl)-2-(3-methylphenoxy)acetamide(non-preferredname)
Smiles: O=C(N/N=C(\c1ccc(cc1)Cl)/C)CNC(=O)COc1cccc(c1)C

STK550875
Synonyms: 4-(benzyloxy)-N-[(5Z)-5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Smiles: COc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)OCc1ccccc1

STK550876
Synonyms: 2-{[5-(furan-2-yl)-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}-N-(1-phenylpropan-2-yl)acetamide
Smiles: CC(Cc1ccccc1)NC(=O)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccco1

STK550877
Synonyms: (5Z)-3-[4-(diethylamino)phenyl]-5-(2,3-dimethoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCN(c1ccc(cc1)N1C(=S)S/C(=C\c2cccc(c2OC)OC)/C1=O)CC

STK550878
Synonyms: (2'R,3'R)-2'-(3,4-dimethoxyphenyl)-3'-[(4-methoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indene-2,1'-pyrrolo[2,1-a]phthalazine]-1,3-dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@@]2([C@H]1c1ccc(c(c1)OC)OC)C(=O)c1c(C2=O)cccc1)cccc3

STK550879
Synonyms: 2-{4-[4-(naphthalen-2-ylamino)phthalazin-1-yl]phenoxy}-1-(piperidin-1-yl)ethanone
Smiles: O=C(N1CCCCC1)COc1ccc(cc1)c1nnc(c2c1cccc2)Nc1ccc2c(c1)cccc2

STK550881
Synonyms: N-(3-methoxyphenyl)-2-[(2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)sulfanyl]acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)C

STK550883
Synonyms: N-(2,4-dimethylphenyl)-N-[(2-hydroxy-8-methylquinolin-3-yl)methyl]-2-methylbenzamide
Smiles: Cc1ccc(c(c1)C)N(C(=O)c1ccccc1C)Cc1cc2cccc(c2nc1O)C

STK550885
Synonyms: 2-{4-[(4-ethoxyphenyl)amino]quinazolin-2-yl}phenol
Smiles: CCOc1ccc(cc1)Nc1nc(nc2c1cccc2)c1ccccc1O

STK550886
Synonyms: (2E)-1-phenyl-3-{2-[(2,3,5,6-tetrafluoropyridin-4-yl)oxy]phenyl}prop-2-en-1-one
Smiles: O=C(c1ccccc1)/C=C/c1ccccc1Oc1c(F)c(F)nc(c1F)F

STK550887
Synonyms: 2-[(4-amino-6,8-diphenyl-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
Smiles: O=C(CSc1nc(N)c2c(n1)sc1c2CC(SC1c1ccccc1)c1ccccc1)NCCc1ccccc1

STK550888
Synonyms: 2-[(2,2-diethoxyethyl)sulfanyl]-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CCOC(CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CC(OC3)(C)C)OCC

STK550889
Synonyms: 3-bromo-N-(3-fluorophenyl)-2-oxo-2H-pyran-5-carboxamide
Smiles: Fc1cccc(c1)NC(=O)c1coc(=O)c(c1)Br

STK550890
Synonyms: (2'R,3'R)-3'-[(4-methoxyphenyl)carbonyl]-2'-(3-nitrophenyl)-2',3'-dihydro-10b'H-spiro[indene-2,1'-pyrrolo[2,1-a]phthalazine]-1,3-dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@@]2([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)c1c(C2=O)cccc1)cccc3

STK550891
Synonyms: 3-[(2,4-dichlorobenzyl)sulfanyl]-5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCc1nc2sc3c(c2c2n1c(SCc1ccc(cc1Cl)Cl)nn2)CC(OC3)(C)C

STK550892
Synonyms: 2-(4-methylphenyl)-3-(phenylsulfonyl)-1,3-thiazolidine
Smiles: Cc1ccc(cc1)C1SCCN1S(=O)(=O)c1ccccc1

STK550893
Synonyms: (5Z)-1-(4-ethylphenyl)-5-({1-[3-(3-methoxyphenoxy)propyl]-1H-indol-3-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCCOc2cccc(c2)OC)/C1=O

STK550894
Synonyms: N-benzyl-2-{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)NCc2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550895
Synonyms: (5Z)-5-({1-[3-(2,3-dimethylphenoxy)propyl]-1H-indol-3-yl}methylidene)-1-(4-ethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCCOc2cccc(c2C)C)/C1=O

STK550897
Synonyms: 1-phenyl-1H-tetrazol-5-yl(1E)-N-(4-chlorophenyl)-2-oxopropanehydrazonothioate
Smiles: Clc1ccc(cc1)N/N=C(\C(=O)C)/Sc1nnnn1c1ccccc1

STK550898
Synonyms: 2-[(E)-2-(4-chlorophenyl)ethenyl]-6-iodo-3-(2-methyl-5-nitrophenyl)quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)/C=C/c1nc2ccc(cc2c(=O)n1c1cc(ccc1C)[N+](=O)[O-])I

STK550899
Synonyms: 2-{[3-(furan-2-ylmethyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Smiles: O=C(CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3)NCCc1ccccc1

STK550900
Synonyms: 2-[(Z)-(5-bromo-1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-3-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)n1c(/C=C\2/c3cc(Br)ccc3N(C2=O)CC)nc2c(c1=O)cccc2

STK550901
Synonyms: N-(2-methoxyphenyl)-2-[4-(propan-2-yloxy)phenyl]quinazolin-4-amine
Smiles: COc1ccccc1Nc1nc(nc2c1cccc2)c1ccc(cc1)OC(C)C

STK550902
Synonyms: 5-(2-chlorophenyl)-3-[(4-fluorobenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Fc1ccc(cc1)CSc1nnc2n1c(nc1c2c2CCCCc2s1)c1ccccc1Cl

STK550903
Synonyms: N-[(1-ethylpyrrolidin-2-yl)methyl]-9-fluoro-7-hydroxy-3-methyl-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carboxamide
Smiles: CCN1CCCC1CNC(=O)c1c(O)c2cc(F)cc3c2n(c1=O)C(C)CC3

STK550904
Synonyms: 4-butoxy-N-(3-cyano-5-propyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)benzamide
Smiles: CCCCOc1ccc(cc1)C(=O)Nc1sc2c(c1C#N)CC(OC2)CCC

STK550905
Synonyms: (1E)-8-(azepan-1-yl)-1-(hydroxyimino)octan-2-one
Smiles: O/N=C/C(=O)CCCCCCN1CCCCCC1

STK550907
Synonyms: 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxyquinazoline
Smiles: CCOc1cc2nc(nc(c2cc1OC)N1CCN(CC1)c1cc(Cl)ccc1C)c1ccc(c(c1)OC)OC

STK550909
Synonyms: 12-benzyl-9-(benzylsulfanyl)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7(12H)-one
Smiles: O=c1n2c(SCc3ccccc3)nnc2n(c2c1C1(CCCC1)Cc1c2cccc1)Cc1ccccc1

STK550910
Synonyms: 2-amino-1-(4-fluorobenzyl)-N-(4-methoxybenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: COc1ccc(cc1)CNC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccc(cc1)F

STK550915
Synonyms: 3-cyclohexyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Smiles: Oc1[nH]c(=S)n(c(=O)c1C1NCCc2c1cccc2)C1CCCCC1

STK550917
Synonyms: N,N-diethyl-2-{[6-iodo-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: CCN(C(=O)CSc1nc2ccc(cc2c(=O)n1c1ccc(cc1)OC)I)CC

STK550919
Synonyms: N-(4-methoxyphenyl)-2-{[3-(3-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCC3

STK550920
Synonyms: N-(2-ethoxyphenyl)-11-(2-methoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCOc1ccccc1Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccccc1OC)C)c1ccccc1

STK550921
Synonyms: N-(4-bromophenyl)-2-{[8,8-dimethyl-11-(morpholin-4-yl)-7,10-dihydro-8H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nnc2n1cnc1c2sc2c1c1CC(C)(C)OCc1c(n2)N1CCOCC1

STK550922
Synonyms: 3-[(2,4-dichlorobenzyl)sulfanyl]-5-(methylsulfanyl)-10-(propan-2-yl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(SCc1ccc(cc1Cl)Cl)nn2)CC(OC3)C(C)C

STK550924
Synonyms: 2-[(2,4-dichlorobenzyl)sulfanyl]-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: C=CCn1c(SCc2ccc(cc2Cl)Cl)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550925
Synonyms: N-(3-chloro-4-methylphenyl)-11-(3,4-dichlorophenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Cc1ccc(cc1Cl)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(c(c2)Cl)Cl)c(nn1c1ccccc1)C

STK550926
Synonyms: N,N,4-tributyl-2,3,5a,10b-tetrahydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine
Smiles: CCCCC1=NC2Sc3c(C2C2=C1CCC2)ncnc3N(CCCC)CCCC

STK550927
Synonyms: N-(4-methoxyphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)OC)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550929
Synonyms: 1-amino-5-(morpholin-4-yl)-N-(naphthalen-1-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
Smiles: O=C(c1sc2c(c1N)c1CCCCc1c(n2)N1CCOCC1)Nc1cccc2c1cccc2

STK550931
Synonyms: 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
Smiles: Fc1ccc(cc1)n1c(=O)[nH]c(c(c1=O)C1N(CCc2c1cccc2)C(=O)C)O

STK550932
Synonyms: 1-[(4-fluorobenzyl)sulfanyl]-4-(4-methylphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Cc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCc1ccc(cc1)F

STK550933
Synonyms: 3-(4-chlorophenyl)-2-[(E)-2-(1-methyl-1H-indol-3-yl)ethenyl]quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)n1c(/C=C/c2cn(c3c2cccc3)C)nc2c(c1=O)cccc2

STK550934
Synonyms: N-(3,4-dimethylphenyl)-10-methyl-8-phenyl-11-[4-(propan-2-yl)phenyl]-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CC(c1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(c(c1)C)C)c1ccccc1)C

STK550935
Synonyms: 2-{[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550936
Synonyms: 5-methyl-3-phenyl-N-{[2-(pyridin-3-yl)piperidin-1-yl]carbamothioyl}-1,2-oxazole-4-carboxamide
Smiles: S=C(NN1CCCCC1c1cccnc1)NC(=O)c1c(C)onc1c1ccccc1

STK550938
Synonyms: (2E)-3-{[2-(difluoromethoxy)phenyl]amino}-2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: COc1cccc(c1)c1csc(n1)/C(=C/Nc1ccccc1OC(F)F)/C#N

STK550939
Synonyms: 2-{[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N,N-dipropylacetamide
Smiles: CCCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)OC)CCCCC3)CCC

STK550940
Synonyms: ethyl4-({4-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]butanoyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CCCSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCC3

STK550941
Synonyms: N-{2-[(2Z)-2-(4-chlorobenzylidene)hydrazinyl]-4-(thiophen-2-yl)-1,3-thiazol-5-yl}acetamide
Smiles: CC(=O)Nc1sc(nc1c1cccs1)N/N=C\c1ccc(cc1)Cl

STK550945
Synonyms: 11-(3-methoxyphenyl)-10-methyl-N-(3-methylphenyl)-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1cccc(c1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1cccc(c1)C)c1ccccc1

STK550946
Synonyms: 2-methoxyethyl2-amino-1-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: COCCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1C)C

STK550947
Synonyms: 2-[(5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
Smiles: CCc1nc2sc3c(c2c2n1c(SCC(=O)Nc1ccc(cc1)C)nn2)CC(OC3)(C)C

STK550948
Synonyms: 2-imino-1-methyl-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Smiles: Cc1ccc(cc1)S(=O)(=O)c1cc2c(n(c1=N)C)nc1n(c2=O)cccc1

STK550949
Synonyms: dipropan-2-yl[hydroxy(3,4,5-trimethoxyphenyl)methyl]phosphonate
Smiles: COc1cc(cc(c1OC)OC)C(P(=O)(OC(C)C)OC(C)C)O

STK550953
Synonyms: N-[(5Z)-5-(3-ethoxy-4-hydroxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2-nitrobenzamide
Smiles: CCOc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1[N+](=O)[O-]

STK550954
Synonyms: 11-[4-(dimethylamino)phenyl]-N-(2-ethoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCOc1ccccc1Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)N(C)C)c(nn1c1ccccc1)C

STK550957
Synonyms: 4,6-dimethyl-2-oxo-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-2H-pyran-5-carboxamide
Smiles: O=c1cc(C)c(c(o1)C)C(=O)NC12CC3CC(C2)CC(C1)C3

STK550958
Synonyms: 3-ethyl-2-[(2-methylbenzyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: CCn1c(SCc2ccccc2C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK550959
Synonyms: (5Z)-5-{2-[(2-chlorobenzyl)oxy]-5-nitrobenzylidene}-3-(furan-2-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C\c2cc(ccc2OCc2ccccc2Cl)[N+](=O)[O-])/C(=O)N1Cc1ccco1

STK550960
Synonyms: 3-octyl-5-(octylsulfanyl)-1H-1,2,4-triazole
Smiles: CCCCCCCCSc1[nH]nc(n1)CCCCCCCC

STK550961
Synonyms: (5Z)-1-(3-chloro-4-methoxyphenyl)-5-({1-[2-(2-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(cc1Cl)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCOc2ccccc2C)/C1=O

STK550962
Synonyms: N-(1,3-benzodioxol-5-yl)-11-(4-ethylphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCc1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc2c(c1)OCO2)c1ccccc1

STK550964
Synonyms: ethyl5-bromo-3-({3-[4-(3-chlorophenyl)piperazin-1-yl]propanoyl}amino)-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)c1cccc(c1)Cl)cc(cc2)Br

STK550965
Synonyms: N-[3-(dicyclohexylamino)-2-hydroxypropyl]-N-phenylbenzenesulfonamide
Smiles: OC(CN(S(=O)(=O)c1ccccc1)c1ccccc1)CN(C1CCCCC1)C1CCCCC1

STK550966
Synonyms: (2-bromophenyl)[5-(4-chlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
Smiles: Cc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)Cl)C(=O)c1ccccc1Br

STK550967
Synonyms: 2-(4-{4-[(4-bromophenyl)amino]phthalazin-1-yl}phenoxy)-1-(piperidin-1-yl)ethanone
Smiles: Brc1ccc(cc1)Nc1nnc(c2c1cccc2)c1ccc(cc1)OCC(=O)N1CCCCC1

STK550968
Synonyms: 4-[(E)-{2-[2-(2-fluorophenyl)quinazolin-4-yl]hydrazinylidene}methyl]phenol
Smiles: Oc1ccc(cc1)/C=N/Nc1nc(nc2c1cccc2)c1ccccc1F

STK550969
Synonyms: N~6~-(3-bromo-4-methylphenyl)-N~4~-ethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine
Smiles: CCNc1cc(Nc2ccc(c(c2)Br)C)c(c2c1non2)[N+](=O)[O-]

STK550970
Synonyms: 4-butoxy-N'-(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)benzohydrazide
Smiles: CCCCOc1ccc(cc1)C(=O)NNc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCC3

STK550971
Synonyms: 2-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-6-iodo-3-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)n1c(SC/C=C(/Cl)\C)nc2c(c1=O)cc(cc2)I

STK550972
Synonyms: 4-[(4bR,7aS,8R)-8-[(4-methoxyphenyl)carbonyl]-5,7-dioxo-4b,5,7a,8-tetrahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-6(7H)-yl]phenylacetate
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=CC=CC2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)OC(=O)C

STK550973
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1Z)-1-(4-hydroxyphenyl)ethylidene]-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Oc1ccc(cc1)/C(=N\NC(=O)c1nnn(c1COc1ccccc1)c1nonc1N)/C

STK550975
Synonyms: N-(3,4-dichlorophenyl)-4-[4-(morpholin-4-yl)-3-nitrophenyl]phthalazin-1-amine
Smiles: [O-][N+](=O)c1cc(ccc1N1CCOCC1)c1nnc(c2c1cccc2)Nc1ccc(c(c1)Cl)Cl

STK550976
Synonyms: 3-(furan-2-ylmethyl)-2-(prop-2-en-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: C=CCSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK550977
Synonyms: methyl3-(6-chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)benzoate
Smiles: COC(=O)c1cccc(c1)n1c2cccc(c2cc2c1nc(=O)n(c2=O)C)Cl

STK550978
Synonyms: (4bR,7aS,8R)-6-(naphthalen-1-yl)-8-(phenylcarbonyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: O=C([C@@H]1N2N=CC=CC2[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc2c1cccc2)c1ccccc1

STK550979
Synonyms: 4-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]morpholine
Smiles: O1CCN(CC1)c1ncnc(c1)n1cccn1

STK550980
Synonyms: ethyl(2Z)-[2-(2-chlorophenyl)hydrazinylidene](3,4-dihydroquinolin-1(2H)-yl)ethanoate
Smiles: CCOC(=O)/C(=N/Nc1ccccc1Cl)/N1CCCc2c1cccc2

STK550981
Synonyms: 2,9-dimethyl-N'-[(3Z)-5-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-9H-imidazo[1,2-a]benzimidazole-3-carbohydrazide
Smiles: Cc1ccc2c(c1)/C(=N/NC(=O)c1c(C)nc3n1c1ccccc1n3C)/C(=O)N2

STK550983
Synonyms: ethyl3-{[3-(4-benzylpiperazin-1-yl)propanoyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)Cc1ccccc1)cccc2

STK550984
Synonyms: 8-cyclohexylidene-2-[3-(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Smiles: O=C1N(c2cccc(c2)C(F)(F)F)C(=O)C2C1C1C=CC2C1=C1CCCCC1

STK550985
Synonyms: 3-(3,5-dimethylphenyl)-11-(2-methoxyphenyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: COc1ccccc1n1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)c1cc(C)cc(c1)C

STK550986
Synonyms: (5Z)-1-(4-ethylphenyl)-5-({1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCOc2ccccc2OC)/C1=O

STK550987
Synonyms: 3-{4-[(3-carboxyphenyl)amino]-2-(ethoxycarbonyl)-2-methyl-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}benzoicacid
Smiles: CCOC(=O)C1(C)C=C(C(=O)N1c1cccc(c1)C(=O)O)Nc1cccc(c1)C(=O)O

STK550988
Synonyms: N-[2-(naphthalen-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
Smiles: O=C(c1ccccc1)Nc1c(nc2n1cccc2)c1ccc2c(c1)cccc2

STK550989
Synonyms: 3-(4-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: Cc1ccc(cc1)n1cnc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK550990
Synonyms: (2E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-{[2-(difluoromethoxy)phenyl]amino}prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccccc1OC(F)F)/c1scc(n1)c1ccc(cc1)Cl

STK550991
Synonyms: (5Z)-5-({1-[2-(4-bromophenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-1-(3-chloro-4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Brc1ccc(cc1)OCCn1cccc1/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(c(c1)Cl)C

STK550993
Synonyms: N~4~-(4-methoxyphenyl)-N~2~-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COc1ccc(cc1)Nc1nc(Nc2cccc(c2)C)nc(c1[N+](=O)[O-])N

STK550994
Synonyms: 11-(4-fluorophenyl)-10-methyl-N-(3-methylphenyl)-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Fc1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1cccc(c1)C)c1ccccc1

STK550995
Synonyms: (1'S,2'S,3R,3a'R)-1'-(2,2-dimethylpropanoyl)-2'-[(3-nitrophenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: O=C([C@@H]1[C@H](N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1)C(=O)C(C)(C)C)c1cccc(c1)[N+](=O)[O-]

STK550996
Synonyms: 4-[(E)-{2-[2-(2-fluorophenyl)quinazolin-4-yl]hydrazinylidene}methyl]benzene-1,3-diol
Smiles: Oc1ccc(c(c1)O)/C=N/Nc1nc(nc2c1cccc2)c1ccccc1F

STK550997
Synonyms: 3-(4-ethoxyphenyl)-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Smiles: CCOc1ccc(cc1)n1c(=S)[nH]c(c(c1=O)C1NCCc2c1cccc2)O

STK550998
Synonyms: ethyl4-{2-[(E)-2-(2-chlorophenyl)ethenyl]-6-iodo-4-oxoquinazolin-3(4H)-yl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1c(/C=C/c2ccccc2Cl)nc2c(c1=O)cc(cc2)I

STK550999
Synonyms: 2-(4-propoxyphenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]
Smiles: CCCOc1ccc(cc1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCCC2

STK551000
Synonyms: 4-fluoro-N-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}carbonothioyl)benzamide
Smiles: Fc1ccc(cc1)C(=O)NC(=S)N1CCN(CC1)C/C=C/c1ccccc1

STK551001
Synonyms: [3',5-bis(4-methylphenyl)-1'-phenyl-3,4-dihydro-1'H,2H-3,4'-bipyrazol-2-yl](5-bromofuran-2-yl)methanone
Smiles: Cc1ccc(cc1)C1=NN(C(C1)c1cn(nc1c1ccc(cc1)C)c1ccccc1)C(=O)c1ccc(o1)Br

STK551002
Synonyms: 1-amino-8,8-dimethyl-5-(morpholin-4-yl)-N-(2-phenylethyl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
Smiles: O=C(c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCOCC1)NCCc1ccccc1

STK551004
Synonyms: (8S,8aR,11aS,11bS)-8-(2,2-dimethylpropanoyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: O=C1NC(=O)[C@@H]2[C@H]1[C@@H]1N([C@@H]2C(=O)C(C)(C)C)C=Cc2c1cccc2

STK551005
Synonyms: 3-(benzylsulfanyl)-5-ethyl-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCc1nc2sc3c(c2c2n1c(SCc1ccccc1)nn2)CCC3

STK551006
Synonyms: 2-(4-chlorophenyl)-3-[6-(2,4,6-trichlorophenoxy)hexyl]quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCCOc1c(Cl)cc(cc1Cl)Cl

STK551009
Synonyms: 2-amino-N-(3-methoxypropyl)-1-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: COCCCNC(=O)c1c2nc3ccccc3nc2n(c1N)c1cc(OC)c(c(c1)OC)OC

STK551012
Synonyms: 2-[(3-methylbenzyl)sulfanyl]-3-(2-methylprop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: Cc1cccc(c1)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCCC3

STK551013
Synonyms: (2Z)-[2-(4-fluorophenyl)hydrazinylidene][4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanenitrile
Smiles: N#C/C(=N/Nc1ccc(cc1)F)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK551014
Synonyms: 3-(2-methylpropyl)-2-(prop-2-en-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: C=CCSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCC3

STK551015
Synonyms: 4-[(E)-{2-[4-(2-nitrophenyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}methyl]phenylbenzenesulfonate
Smiles: O=C1N=C(S/C/1=C/c1ccc(cc1)OS(=O)(=O)c1ccccc1)N1CCN(CC1)c1ccccc1[N+](=O)[O-]

STK551019
Synonyms: 1-benzyl-3-(benzylsulfanyl)-6,7,8,9-tetrahydro[1]benzothieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
Smiles: O=c1c2c(sc3c2CCCC3)nc2n1c(SCc1ccccc1)nn2Cc1ccccc1

STK551021
Synonyms: N-(2-phenylethyl)-2-[(2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)sulfanyl]acetamide
Smiles: O=C(CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)C)NCCc1ccccc1

STK551022
Synonyms: 6-iodo-3-(2-methylphenyl)-2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}quinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)SCC(=O)N1CCOCC1)c1ccccc1C

STK551024
Synonyms: 8-amino-7-methyl-3-(prop-2-en-1-yl)-2-thioxo-2,3-dihydrobenzo[g]pteridin-4(1H)-one
Smiles: C=CCn1c(=S)[nH]c2c(c1=O)nc1c(n2)cc(c(c1)C)N

STK551026
Synonyms: (4bR,7aS,8R)-6-(2-methyl-4-nitrophenyl)-8-(phenylcarbonyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: O=C1[C@H]2[C@@H](C(=O)N1c1ccc(cc1C)[N+](=O)[O-])C1N([C@H]2C(=O)c2ccccc2)N=CC=C1

STK551027
Synonyms: N-(3-chloro-4-methoxyphenyl)-11-(3-methoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1cccc(c1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1ccc(c(c1)Cl)OC)nc1c2cccc1

STK551028
Synonyms: (5Z)-1-[4-(butan-2-yl)phenyl]-5-{[1-(2-chlorobenzyl)-1H-indol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCC(c1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)Cc2ccccc2Cl)/C1=O)C

STK551030
Synonyms: 11-(3-chloro-4-methoxyphenyl)-2-ethyl-3-(2-methoxyethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: COCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(c(c1)Cl)OC

STK551032
Synonyms: N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl]-4-methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)NC(=S)Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1

STK551034
Synonyms: 1-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Fc1ccc(cc1)C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCCC3

STK551037
Synonyms: 3-bromo-N-[4-(octyloxy)phenyl]-2-oxo-2H-pyran-5-carboxamide
Smiles: CCCCCCCCOc1ccc(cc1)NC(=O)c1coc(=O)c(c1)Br

STK551038
Synonyms: N-(4-bromophenyl)-2-{[6,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)Br)nc2c(c1=O)c1CC(C)(C)SCc1s2

STK551039
Synonyms: 6-[9-bromo-2-(pyridin-3-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1Oc2ccc(cc2C2N1N=C(C2)c1cccnc1)Br

STK551040
Synonyms: 6-chloro-2-[(2Z)-2-(3,5-diphenylcyclohex-2-en-1-ylidene)hydrazinyl]-4-phenylquinazoline
Smiles: Clc1ccc2c(c1)c(nc(n2)N/N=C\1/CC(CC(=C1)c1ccccc1)c1ccccc1)c1ccccc1

STK551041
Synonyms: 3-[(4-bromobenzyl)sulfanyl]-5-(methylsulfanyl)-10-(propan-2-yl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(SCc1ccc(cc1)Br)nn2)CC(OC3)C(C)C

STK551043
Synonyms: 4-(butylsulfanyl)-6-ethyl-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCCCSc1nc(SC)nc2c1c1CC(C)(CC)OCc1s2

STK551046
Synonyms: (3S,3a'R,8a'S,8b'S)-2'-(2-fluorophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: Fc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cccc2

STK551049
Synonyms: 3-(2-methoxyphenyl)-11-[2-(4-methoxyphenyl)ethyl]-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: COc1ccc(cc1)CCn1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)c1ccccc1OC

STK551050
Synonyms: 7-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]amino}-3-methyl-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: Cc1ccc2c(c1)oc1c([nH]2)c2c(c(c1)NCCN1CCc3c(C1)cccc3)c(=O)c1c(c2=O)cccc1

STK551051
Synonyms: 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-N-(3-methoxypropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: COCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccc2c(c1)OCO2

STK551053
Synonyms: 2-{(2E)-2-[(2-chloro-6-methoxyquinolin-3-yl)methylidene]hydrazinyl}-4-phenylquinazoline
Smiles: COc1ccc2c(c1)cc(c(n2)Cl)/C=N/Nc1nc2ccccc2c(n1)c1ccccc1

STK551054
Synonyms: (2E)-3-(4-bromophenyl)-N-[(2-{[(1S,2S)-2-phenylcyclopropyl]carbonyl}hydrazinyl)carbonothioyl]prop-2-enamide
Smiles: S=C(NC(=O)/C=C/c1ccc(cc1)Br)NNC(=O)[C@H]1C[C@@H]1c1ccccc1

STK551055
Synonyms: [3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl](furan-2-yl)methanone
Smiles: Brc1ccc(cc1)C1=NN(C(C1)c1ccco1)C(=O)c1ccco1

STK551056
Synonyms: 3-[(4-fluorobenzyl)sulfanyl]-5-(methylsulfanyl)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(SCc1ccc(cc1)F)nn2)CCC3

STK551057
Synonyms: 6-iodo-3-(2-methylprop-2-en-1-yl)-2-(propylsulfanyl)quinazolin-4(3H)-one
Smiles: CCCSc1nc2ccc(cc2c(=O)n1CC(=C)C)I

STK551058
Synonyms: (4aR,4bS,7aR,8S)-6-phenyl-8-(phenylcarbonyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: O=C([C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1)c1ccccc1

STK551059
Synonyms: 4-[4-(diphenylmethyl)piperazin-1-yl]-2-(2-fluorophenyl)quinazoline
Smiles: Fc1ccccc1c1nc2ccccc2c(n1)N1CCN(CC1)C(c1ccccc1)c1ccccc1

STK551060
Synonyms: (6aS,6bR,9aS,10R)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-nitrophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Smiles: O=C([C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc3c(c1)OCCO3)C=Cc1c2cccc1)Nc1ccc(cc1)[N+](=O)[O-]

STK551062
Synonyms: 2-[(4-amino-6,8-diphenyl-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nc(N)c2c(n1)sc1c2CC(SC1c1ccccc1)c1ccccc1

STK551063
Synonyms: dimethyl5-({(Z)-2-cyano-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzene-1,3-dicarboxylate
Smiles: N#C/C(=C/Nc1cc(cc(c1)C(=O)OC)C(=O)OC)/c1scc(n1)c1ccc(cc1C)C

STK551065
Synonyms: 3-[4-(dimethylamino)phenyl]-2-phenyl-5-(4-propoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1)N(C)C

STK551066
Synonyms: (2E)-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(3,4,5-trimethoxyphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cc(OC)c(c(c1)OC)OC)/c1scc(n1)c1ccc(cc1)CC

STK551067
Synonyms: 2-chloro-3-[(E)-hydrazinylidenemethyl]-7-methoxyquinoline
Smiles: N/N=C/c1cc2ccc(cc2nc1Cl)OC

STK551070
Synonyms: 1-benzyl-N-cyclopentyl-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Smiles: O=C(c1cc2c(n(c1=N)Cc1ccccc1)nc1n(c2=O)cccc1C)NC1CCCC1

STK551072
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)C)CSc1nnc(n1c1ccc(cc1)Br)c1ccncc1

STK551073
Synonyms: 2-{[6,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-phenylacetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccccc2)nc2c(c1=O)c1CC(C)(C)SCc1s2

STK551074
Synonyms: 2-[(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N,N-dibutylacetamide
Smiles: CCCCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3)CCCC

STK551075
Synonyms: 2-[(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]-N-(naphthalen-1-yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCC3

STK551077
Synonyms: 11-benzyl-3-(2,5-dichlorophenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: Clc1ccc(c(c1)n1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1)Cl

STK551078
Synonyms: 2-chloro-N-[2-(naphthalen-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
Smiles: O=C(c1ccccc1Cl)Nc1c(nc2n1cccc2)c1ccc2c(c1)cccc2

STK551079
Synonyms: ethyl4-{[11-(3,4-dichlorophenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-yl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(c(c2)Cl)Cl)c(nn1c1ccccc1)C

STK551080
Synonyms: N,N-dibutyl-2-[(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetamide
Smiles: CCCCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC)CCCC3)CCCC

STK551081
Synonyms: 2-[(E)-2-(4-methylphenyl)ethenyl]-3-(naphthalen-2-yl)quinazolin-4(3H)-one
Smiles: Cc1ccc(cc1)/C=C/c1nc2ccccc2c(=O)n1c1ccc2c(c1)cccc2

STK551082
Synonyms: N-(2,3-dimethylphenyl)-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2C)C)nnc1c1cccnc1

STK551083
Synonyms: 4-[(E)-(2-{[4-(2-chlorobenzyl)piperazin-1-yl]acetyl}hydrazinylidene)methyl]-2,6-dimethoxyphenylacetate
Smiles: COc1cc(/C=N/NC(=O)CN2CCN(CC2)Cc2ccccc2Cl)cc(c1OC(=O)C)OC

STK551084
Synonyms: 1-(4-{[7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone
Smiles: CC1CCCN(C1)c1cc(Nc2ccc(cc2)C(=O)C)c(c2c1non2)[N+](=O)[O-]

STK551085
Synonyms: 5-[(4-ethoxyphenyl)amino]-5-oxo-2-propylpentanoicacid
Smiles: CCCC(C(=O)O)CCC(=O)Nc1ccc(cc1)OCC

STK551087
Synonyms: (8R,8aS,11aR)-10-(3-fluorophenyl)-8-[(4-methoxyphenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)F)cccc3

STK551090
Synonyms: 2-[(5Z)-5-(2-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoicacid
Smiles: COc1ccccc1/C=C/1\SC(=S)N(C1=O)C(C(=O)O)C

STK551093
Synonyms: 1,5-bis(2-methoxyphenyl)-3-(phenylcarbonyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Smiles: COc1ccccc1N1N=C(C2C1C(=O)N(C2=O)c1ccccc1OC)C(=O)c1ccccc1

STK551094
Synonyms: 4-butyl-7-[(2,2-diethoxyethyl)sulfanyl]-2,3,5a,10b-tetrahydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CCCCC1=NC2Sc3c(C2C2=C1CCC2)ncnc3SCC(OCC)OCC

STK551095
Synonyms: 2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccncc1)C

STK551096
Synonyms: N-(3-chloro-4-methylphenyl)-10-methyl-8,11-diphenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Cc1nn(c2c1C(c1ccccc1)n1c(=N2)c(Nc2ccc(c(c2)Cl)C)nc2c1cccc2)c1ccccc1

STK551097
Synonyms: 3,5-dimethoxy-N-[(2-{[(1S,2S)-2-phenylcyclopropyl]carbonyl}hydrazinyl)carbonothioyl]benzamide
Smiles: COc1cc(OC)cc(c1)C(=O)NC(=S)NNC(=O)[C@H]1C[C@@H]1c1ccccc1

STK551101
Synonyms: 6-chloro-N-({2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]hydrazinyl}carbonothioyl)pyridine-3-carboxamide
Smiles: S=C(NC(=O)c1ccc(nc1)Cl)NNC(=O)c1c(C)onc1c1ccccc1

STK551103
Synonyms: 3-imino-1-methyl-5,7-dipropyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
Smiles: CCCC1C2(C)OC(C(C1(C#N)C#N)(C(=N)O2)C#N)CCC

STK551104
Synonyms: (2Z)-3-[3-methoxy-4-(2-oxo-2-phenylethoxy)phenyl]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/c1ccc(c(c1)OC)OCC(=O)c1ccccc1)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK551105
Synonyms: 3-fluoro-N-[(2-{[(1S,2S)-2-phenylcyclopropyl]carbonyl}hydrazinyl)carbonothioyl]benzamide
Smiles: S=C(NC(=O)c1cccc(c1)F)NNC(=O)[C@H]1C[C@@H]1c1ccccc1

STK551106
Synonyms: 3-bromo-N-(4-methoxyphenyl)-2-oxo-2H-pyran-5-carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1coc(=O)c(c1)Br

STK551107
Synonyms: N-(furan-2-ylmethyl)-5-nitro-2-(pyrrolidin-1-yl)pyrimidine-4,6-diamine
Smiles: [O-][N+](=O)c1c(NCc2ccco2)nc(nc1N)N1CCCC1

STK551108
Synonyms: 2-[(3-methylbenzyl)sulfanyl]-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: C=CCn1c(SCc2cccc(c2)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK551109
Synonyms: (8R,8aS,11aR)-8-(2,2-dimethylpropanoyl)-10-(4-methoxyphenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1C2c2ccccc2C=N1)C(=O)C(C)(C)C

STK551110
Synonyms: 4-bromo-2-{6-[(3-chloro-4-methylphenyl)amino]-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl}phenol
Smiles: Brc1ccc(c(c1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(c(c1)Cl)C)c1ccccc1)O

STK551114
Synonyms: 2-[(4-tert-butylphenoxy)methyl]-1-(2-cyclohexylethyl)-1H-benzimidazole
Smiles: CC(c1ccc(cc1)OCc1nc2c(n1CCC1CCCCC1)cccc2)(C)C

STK551115
Synonyms: ethyl1-benzyl-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: CCOC(=O)c1cc2c(n(c1=N)Cc1ccccc1)nc1n(c2=O)cccc1C

STK551118
Synonyms: 2-[(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]-N-phenylacetamide
Smiles: CCn1c(SCC(=O)Nc2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK551119
Synonyms: N-(2,4-dimethylphenyl)-N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]-2-methylbenzamide
Smiles: Cc1ccc(c(c1)C)N(C(=O)c1ccccc1C)Cc1cc2cc(C)ccc2nc1O

STK551121
Synonyms: 2-(ethylsulfanyl)-3-(2-methylpropyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: CCSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCCC3

STK551122
Synonyms: N-(4-chlorophenyl)-2-{[5-(methylsulfanyl)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
Smiles: CSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1ccc(cc1)Cl)nn2)CCC3

STK551124
Synonyms: 1-methoxypropan-2-yl2-amino-1-(2-ethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: COCC(OC(=O)c1c2nc3ccccc3nc2n(c1N)c1ccccc1CC)C

STK551126
Synonyms: 2-(propan-2-ylsulfanyl)-3-propyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CCCn1c(SC(C)C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK551128
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-{4-[(4-bromobenzyl)oxy]phenyl}ethylidene]-5-(3-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Brc1ccc(cc1)COc1ccc(cc1)/C(=N/NC(=O)c1nnn(c1c1cccc(c1)[N+](=O)[O-])c1nonc1N)/C

STK551129
Synonyms: 2-[(7,7-dimethyl-5-oxo-4-phenyl-4,5,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-(1-phenylpropan-2-yl)acetamide
Smiles: O=C(NC(Cc1ccccc1)C)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CC(OC3)(C)C

STK551131
Synonyms: prop-2-en-1-yl[3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate
Smiles: C=CCOC(=O)C(c1nc2ccccc2nc1N1CCCCCC1)C#N

STK551132
Synonyms: 3-(4-bromophenyl)-7-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
Smiles: Fc1ccc(cc1)N1C(=O)CC2(C1=O)ON=C(C2)c1ccc(cc1)Br

STK551133
Synonyms: 4-butyl-7-[(2,4-dichlorobenzyl)sulfanyl]-2,3,5a,10b-tetrahydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CCCCC1=NC2Sc3c(C2C2=C1CCC2)ncnc3SCc1ccc(cc1Cl)Cl

STK551134
Synonyms: (3aR,6aS)-5-(2-methyl-5-nitrophenyl)-3-(3-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Cc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)ON=C2c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-]

STK551135
Synonyms: (8R,8aS,11aR)-N-(4-chlorophenyl)-10-(naphthalen-1-yl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-8-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc2c1cccc2)cccc3

STK551136
Synonyms: ethyl5,6-dimethoxy-3-{[3-(piperidin-1-yl)propanoyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCCCC1)cc(c(c2)OC)OC

STK551140
Synonyms: N-(naphthalen-1-yl)-2-[(5-oxo-4-phenyl-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCCC3

STK551141
Synonyms: 2-(4-{4-[(3,4-dichlorophenyl)amino]phthalazin-1-yl}phenoxy)-1-(piperidin-1-yl)ethanone
Smiles: O=C(N1CCCCC1)COc1ccc(cc1)c1nnc(c2c1cccc2)Nc1ccc(c(c1)Cl)Cl

STK551142
Synonyms: 2-methoxyethyl2-amino-1-(4-chloro-3-nitrophenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: COCCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(c(c1)[N+](=O)[O-])Cl