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STK541385
Synonyms: 2-ethyl-5-oxo-5-(1,3-thiazol-2-ylamino)pentanoicacid
Smiles: CCC(C(=O)O)CCC(=O)Nc1nccs1

STK541386
Synonyms: 6-chloro-3-[5-(4-methoxyphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-methyl-4-phenylquinoline
Smiles: COc1ccc(cc1)C1CC(=NN1S(=O)(=O)C)c1c(C)nc2c(c1c1ccccc1)cc(cc2)Cl

STK541387
Synonyms: ethyl1-(4-bromophenyl)-5,6,7,8-tetrafluoro-4-(pentafluorophenyl)-1,4-dihydro-1,2,4-benzodiazaphosphinine-3-carboxylate4-oxide
Smiles: CCOC(=O)C1=NN(c2ccc(cc2)Br)c2c(P1(=O)c1c(F)c(F)c(c(c1F)F)F)c(F)c(c(c2F)F)F

STK541388
Synonyms: (3aS,6aS)-5-(3,5-dichlorophenyl)-3-(4-nitrophenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Smiles: Clc1cc(Cl)cc(c1)N1C(=O)[C@H]2[C@@H](C1=O)N(N=C2c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK541389
Synonyms: (4E)-4-[hydroxy(4-methoxyphenyl)methylidene]-5-(3-phenoxyphenyl)-1-[2-(piperazin-1-yl)ethyl]pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Oc1ccccc1)CCN1CCNCC1)/O

STK541393
Synonyms: (2Z)-2-[5-(4-bromobenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(3-methylphenyl)ethanamide
Smiles: N#C/C(=C\1/SC(C(=O)N1c1ccccc1)Cc1ccc(cc1)Br)/C(=O)Nc1cccc(c1)C

STK541394
Synonyms: methyl5-chloro-3-{[2-(3-methylpiperidin-1-yl)propanoyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(N1CCCC(C1)C)C)cc(cc2)Cl

STK541397
Synonyms: 2-(hexylsulfanyl)-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CCCCCCSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CC(SC3)(C)C

STK541398
Synonyms: (8R,8aR)-6-amino-8-(2,5-dimethoxyphenyl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: CCCN1CC=C2[C@H](C1)[C@@H](c1cc(OC)ccc1OC)C(C(=C2C#N)N)(C#N)C#N

STK541400
Synonyms: methyl3-{[(4-fluorophenyl)carbamothioyl]amino}-5-methyl-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=S)Nc1ccc(cc1)F)cc(cc2)C

STK541402
Synonyms: N-phenyl-2-[(10-phenyl-8,9-dihydro-7H-cyclopenta[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(Nc1ccccc1)CSc1nnc2n1cnc1c2sc2c1c1CCCc1c(n2)c1ccccc1

STK541404
Synonyms: N-{2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}-3-phenylpropanamide
Smiles: N#Cc1c(sc2c1CCCC2)NC(C(F)(F)F)(C(F)(F)F)NC(=O)CCc1ccccc1

STK541407
Synonyms: 11-(4-bromophenyl)-3-pentyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: CCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(cc1)Br

STK541408
Synonyms: 2-[4-(4-chlorobenzyl)piperazin-1-yl]-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)Cl)N/N=C/c1ccc(cc1)[N+](=O)[O-]

STK541410
Synonyms: 2,2,2-trifluoro-1-{1-hydroxy-3,3-dimethyl-11-[4-(pentyloxy)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}ethanone
Smiles: CCCCCOc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)C(F)(F)F)cccc2)(C)C

STK541411
Synonyms: S-{[5-oxo-4-(2-phenylethyl)-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]methyl}methyl(phenyl)carbamothioate
Smiles: CN(c1ccccc1)C(=O)SCc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CCCC3

STK541412
Synonyms: pentyl{[5-oxo-4-(2-phenylethyl)-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetate
Smiles: CCCCCOC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CCCC3

STK541414
Synonyms: 3-cyclohexyl-2-[(4-methoxybenzyl)sulfanyl]-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: COc1ccc(cc1)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC(OC3)C(C)C

STK541415
Synonyms: N~4~-benzyl-N~2~-(4-bromophenyl)quinazoline-2,4-diamine
Smiles: Brc1ccc(cc1)Nc1nc(NCc2ccccc2)c2c(n1)cccc2

STK541416
Synonyms: (2E)-3-(4-methoxyphenyl)-N-{[4-(2-methoxyphenyl)piperazin-1-yl]carbonothioyl}prop-2-enamide
Smiles: COc1ccc(cc1)/C=C/C(=O)NC(=S)N1CCN(CC1)c1ccccc1OC

STK541417
Synonyms: N-(3-nitrophenyl)-2-[(3,4,8-trimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamide
Smiles: O=C(Nc1cccc(c1)[N+](=O)[O-])COc1ccc2c(c1C)oc(=O)c(c2C)C

STK541418
Synonyms: diphenylmethyl(1'R,2'S,3R)-2-oxo-2'-(phenylcarbonyl)-1,1',2,2'-tetrahydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinoline]-1'-carboxylate
Smiles: O=C([C@@H]1N2c3ccccc3C=CC2[C@]2([C@@H]1C(=O)c1ccccc1)C(=O)Nc1c2cccc1)OC(c1ccccc1)c1ccccc1

STK541419
Synonyms: 4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-6,7-dimethoxy-2-phenylquinazoline
Smiles: COc1cc2c(cc1OC)nc(nc2N1CCC2(CC1)OCCO2)c1ccccc1

STK541420
Synonyms: (3aR,6aS)-5-(4-acetylphenyl)-3-(4-bromophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Brc1ccc(cc1)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)C(=O)C

STK541421
Synonyms: N-({4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}carbamothioyl)-4-fluorobenzamide
Smiles: CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)c1ccc(cc1)F

STK541422
Synonyms: N-(3-chlorophenyl)-10-methyl-8-phenyl-11-(3,4,5-trimethoxyphenyl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1cc(cc(c1OC)OC)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1cccc(c1)Cl)nc1c2cccc1

STK541423
Synonyms: (4E)-5-(2-fluorophenyl)-4-[hydroxy(4-methoxyphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1F)Cc1cccnc1)/O

STK541424
Synonyms: 1-hydroxy-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCCCCCCCc1c(C)c(C#N)c2n(c1O)c1ccccc1n2

STK541425
Synonyms: 2-(4-benzylpiperazin-1-yl)-N'-[(E)-(5-bromo-2-methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1ccc(cc1/C=N/NC(=O)CN1CCN(CC1)Cc1ccccc1)Br

STK541426
Synonyms: methanediylbis[diphenyl(phosphinodithioate)]
Smiles: S=P(c1ccccc1)(c1ccccc1)SCSP(=S)(c1ccccc1)c1ccccc1

STK541427
Synonyms: 2-({[(4-bromophenyl)carbonyl]carbamothioyl}amino)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Smiles: CCN1CCc2c(C1)sc(c2C(=O)N)NC(=S)NC(=O)c1ccc(cc1)Br

STK541428
Synonyms: N-(4-bromophenyl)-N'-(4-methoxybenzyl)hydrazine-1,2-dicarbothioamide
Smiles: COc1ccc(cc1)CNC(=S)NNC(=S)Nc1ccc(cc1)Br

STK541429
Synonyms: 2-[4-(benzyloxy)-3-methoxyphenyl]-5-(2,5-dimethylphenyl)-4-phenyl-1H-imidazole
Smiles: COc1cc(ccc1OCc1ccccc1)c1[nH]c(c(n1)c1ccccc1)c1cc(C)ccc1C

STK541430
Synonyms: (2E)-2-cyano-3-[3-methoxy-4-(propan-2-yloxy)phenyl]-N-(pyridin-3-yl)prop-2-enamide
Smiles: N#C/C(=C\c1ccc(c(c1)OC)OC(C)C)/C(=O)Nc1cccnc1

STK541431
Synonyms: (4E)-4-[hydroxy(4-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-1-(pyrimidin-2-yl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)OC)N(C(=O)C1=O)c1ncccn1)/O

STK541432
Synonyms: 2-[4-(2-chlorobenzyl)piperazin-1-yl]-N'-[(1Z)-1-(thiophen-2-yl)ethylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccccc1Cl)N/N=C(\c1cccs1)/C

STK541433
Synonyms: 8-fluoro-3-{[(E)-(3-fluorophenyl)methylidene]amino}-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: Fc1cccc(c1)/C=N/n1c(C)nc2c(c1=O)[nH]c1c2cc(cc1)F

STK541434
Synonyms: 2-amino-1-(4-chlorophenyl)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: Clc1ccc(cc1)n1c(N)c(c2c1nc1ccccc1n2)C(=O)Nc1cc(nn1c1ccccc1)C

STK541435
Synonyms: 2-(2-fluorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Smiles: CCCC12CN3CC(C2=O)(CN(C1)C3c1ccccc1F)CCC

STK541436
Synonyms: (4E)-5-[4-(dimethylamino)phenyl]-4-(1-hydroxyethylidene)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Smiles: CN(c1ccc(cc1)C1/C(=C(\O)/C)/C(=O)C(=O)N1Cc1cccnc1)C

STK541437
Synonyms: methyl7-(3-chloro-4-methylphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Smiles: COC(=O)C1=NNC2(C1)CC(=O)N(C2=O)c1ccc(c(c1)Cl)C

STK541438
Synonyms: 3-[(Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-9-methyl-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: COc1cc(CCN2C(=S)S/C(=C\c3c(NCC(C)C)nc4n(c3=O)cccc4C)/C2=O)ccc1OC

STK541439
Synonyms: N-(2,5-dimethylphenyl)-11-(2-fluorophenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Cc1ccc(c(c1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccccc1F)C)c1ccccc1)C

STK541440
Synonyms: 2-(butylsulfanyl)-8,8-dimethyl-3-(4-methylphenyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Smiles: CCCCSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1ccc(cc1)C

STK541441
Synonyms: 4-{[(E)-(4-hydroxy-3,5-diiodophenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: Oc1c(I)cc(cc1I)/C=N/c1c(C)n(n(c1=O)c1ccccc1)C

STK541442
Synonyms: 3-amino-6-(thiophen-2-yl)-N-[2-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
Smiles: O=C(c1sc2c(c1N)ccc(n2)c1cccs1)Nc1ccccc1C(F)(F)F

STK541444
Synonyms: 3-{(Z)-[3-(4-fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(thiomorpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: Fc1ccc(cc1)CN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCSCC2)/C1=O

STK541445
Synonyms: ethyl(8S,8aR)-6-amino-5,7,7-tricyano-8-(3,4-diethoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: CCOC(=O)N1CC=C2[C@H](C1)[C@@H](c1ccc(c(c1)OCC)OCC)C(C(=C2C#N)N)(C#N)C#N

STK541446
Synonyms: N-[1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-4-fluorobenzamide
Smiles: CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1ccc(cc1)F

STK541447
Synonyms: 2-[4-(4-chlorobenzyl)piperazin-1-yl]-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)Cl)N/N=C/c1ccc(cc1)N(C)C

STK541449
Synonyms: methyl(1R,2R,3R,3aS)-2-(4-bromophenyl)-3-cyano-1-(phenylcarbonyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: COC(=O)[C@]1(C#N)[C@@H](c2ccc(cc2)Br)[C@@H](N2[C@H]1C=Cc1c2cccc1)C(=O)c1ccccc1

STK541450
Synonyms: 4-(4-chlorophenyl)-N,1-diphenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Smiles: Clc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=S)Nc1ccccc1)c1ccccc1

STK541452
Synonyms: 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-3-(naphthalen-2-yl)quinazolin-4(3H)-one
Smiles: Clc1ccc(c(c1)Cl)/C=C/c1nc2ccccc2c(=O)n1c1ccc2c(c1)cccc2

STK541456
Synonyms: N-{3-[(4-methylphenyl)sulfonyl]-1-octyl-1H-pyrrolo[2,3-b]quinoxalin-2-yl}benzenesulfonamide
Smiles: CCCCCCCCn1c2nc3ccccc3nc2c(c1NS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccc(cc1)C

STK541457
Synonyms: 11-(3,4-dimethoxyphenyl)-10-methyl-8-phenyl-N-[3-(trifluoromethyl)phenyl]-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1ccc(cc1OC)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1cccc(c1)C(F)(F)F)c1ccccc1

STK541458
Synonyms: 4-chloro-N-[2-(dimethylamino)-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide
Smiles: CN(C1C(NS(=O)(=O)c2ccc(cc2)Cl)c2c3c1cccc3ccc2)C

STK541459
Synonyms: 2-(2-aminophenyl)-N-(2,6-dichlorophenyl)acetamide
Smiles: O=C(Nc1c(Cl)cccc1Cl)Cc1ccccc1N

STK541460
Synonyms: 8-chloro-3-(2,2-dimethoxyethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COC(Cn1cnc2c(c1=O)[nH]c1c2cc(cc1)Cl)OC

STK541461
Synonyms: ethyl(2Z)-2-{[5-(4-bromophenyl)furan-2-yl]methylidene}-7-methyl-5-(4-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C)c(=O)/c(=C/c1ccc(o1)c1ccc(cc1)Br)/s2

STK541462
Synonyms: N-[5-(hydrazinylcarbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
Smiles: NNC(=O)c1sc(nc1C)NS(=O)(=O)c1ccc(cc1)C

STK541463
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/c1cc(ccc1O)[N+](=O)[O-]

STK541464
Synonyms: N-(3-methoxyphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2cccc(c2)OC)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK541465
Synonyms: 2-amino-N-(2-methoxybenzyl)-1-(3-methoxypropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: COCCCn1c(N)c(c2c1nc1ccccc1n2)C(=O)NCc1ccccc1OC

STK541466
Synonyms: 2-{4-[(4-bromophenyl)sulfonyl]piperazin-1-yl}-N'-[(Z)-(2-nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br)N/N=C\c1ccccc1[N+](=O)[O-]

STK541467
Synonyms: 2-[(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
Smiles: O=C(CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3)NCc1ccco1

STK541468
Synonyms: 4-chloro-N-[2-(phenylcarbonyl)phenyl]benzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1

STK541469
Synonyms: (3aS,6aS)-3-(4-bromophenyl)-5-(3,5-dichlorophenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Smiles: Brc1ccc(cc1)C1=NN([C@H]2[C@@H]1C(=O)N(C2=O)c1cc(Cl)cc(c1)Cl)c1ccccc1

STK541470
Synonyms: 2-amino-1-(2,5-dimethoxyphenyl)-N-(4-fluorobenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: COc1ccc(cc1n1c(N)c(c2c1nc1ccccc1n2)C(=O)NCc1ccc(cc1)F)OC

STK541471
Synonyms: 7-(4-{[(3,4-difluorophenyl)carbonyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=S)NC(=O)c1ccc(c(c1)F)F)c(c2)F

STK541474
Synonyms: 2-[(3Z)-3-(1-hydroxyethylidene)-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]propanoicacid
Smiles: OC(=O)C(N1C(=O)C(=O)/C(=C(\O)/C)/C1c1ccc(cc1)[N+](=O)[O-])C

STK541476
Synonyms: 5,10-diphenyl-2,7-bis[3-(trifluoromethyl)phenyl]tetrahydropyrrolo[3,4-c]pyrrolo[3',4':4,5]pyrazolo[1,2-a]pyrazole-1,3,6,8(2H,3aH,5H,7H)-tetrone
Smiles: O=C1N(c2cccc(c2)C(F)(F)F)C(=O)C2C1N1C(c3ccccc3)C3C(N1C2c1ccccc1)C(=O)N(C3=O)c1cccc(c1)C(F)(F)F

STK541478
Synonyms: N'-[2,2-dimethyl-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N,N-dimethylpropane-1,3-diamine
Smiles: CN(CCCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCCC1)C

STK541479
Synonyms: N'-{(E)-[4-(benzyloxy)phenyl]methylidene}-2-[4-(4-chlorobenzyl)piperazin-1-yl]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)Cl)N/N=C/c1ccc(cc1)OCc1ccccc1

STK541481
Synonyms: N'-[(E)-(2,5-dimethoxyphenyl)methylidene]-2-[4-(4-methylbenzyl)piperazin-1-yl]acetohydrazide
Smiles: COc1ccc(cc1/C=N/NC(=O)CN1CCN(CC1)Cc1ccc(cc1)C)OC

STK541482
Synonyms: 6-iodo-3-(prop-2-en-1-yl)-2-(propylsulfanyl)quinazolin-4(3H)-one
Smiles: C=CCn1c(SCCC)nc2c(c1=O)cc(cc2)I

STK541483
Synonyms: 7-benzyl-1,3-dimethyl-8-[(naphthalen-2-ylmethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=c1n(C)c2nc(n(c2c(=O)n1C)Cc1ccccc1)SCc1ccc2c(c1)cccc2

STK541484
Synonyms: ethyl3-[(benzylcarbamothioyl)amino]-5-chloro-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=S)NCc1ccccc1)cc(cc2)Cl

STK541486
Synonyms: 2-[4-(4-methylbenzyl)piperazin-1-yl]-N'-[(E)-(2-methylphenyl)methylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)C)N/N=C/c1ccccc1C

STK541488
Synonyms: 11-(3-bromophenyl)-N-(4-chlorophenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Brc1cccc(c1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(cc1)Cl)c1ccccc1

STK541489
Synonyms: 5-[5-(2-chlorophenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoicacid
Smiles: COc1ccc(cc1OC)C1=NN(C(C1)c1ccccc1Cl)C(=O)CCCC(=O)O

STK541490
Synonyms: 1-methyl-7-(phenylamino)-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: O=c1c2c3[nH]c4c(C)cccc4oc3cc(c2c(=O)c2c1cccc2)Nc1ccccc1

STK541491
Synonyms: 2-{4-[(4-bromophenyl)sulfonyl]piperazin-1-yl}-N'-[(1Z)-1-phenylethylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br)N/N=C(\c1ccccc1)/C

STK541492
Synonyms: (6aS,6bR,9aS,10R)-10-(1H-benzotriazol-1-ylcarbonyl)-8-(2,4-dichlorophenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Clc1ccc(c(c1)Cl)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)n1nnc2c1cccc2

STK541493
Synonyms: 4-nitro-N-{3-[(3,4,5-trimethoxyphenyl)amino]quinoxalin-2-yl}benzenesulfonamide
Smiles: COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(cc2)[N+](=O)[O-])cc(c1OC)OC

STK541494
Synonyms: (3aR,6aS)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: O=C1[C@H]2ON=C([C@H]2C(=O)N1c1ccc2c(c1)OCCO2)c1ccc(cc1)[N+](=O)[O-]

STK541495
Synonyms: 11-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Clc1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1cc(Cl)cc(c1)Cl)c1ccccc1

STK541496
Synonyms: 2-cyano-N-pentyl-2-[3-(piperidin-1-yl)quinoxalin-2-yl]acetamide
Smiles: CCCCCNC(=O)C(c1nc2ccccc2nc1N1CCCCC1)C#N

STK541497
Synonyms: 2-amino-1-(2-methoxybenzyl)-N-(tetrahydrofuran-2-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: COc1ccccc1Cn1c(N)c(c2c1nc1ccccc1n2)C(=O)NCC1CCCO1

STK541500
Synonyms: 3-[(Z)-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(thiomorpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCSCC2)/C1=O

STK541501
Synonyms: 8-benzyl-9-[(3-methylbutyl)sulfanyl]-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
Smiles: CC(CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCc1c3cccc1)C

STK541502
Synonyms: 1-(benzyloxy)-3-(3-nitrophenyl)quinoxalin-2(1H)-one4-oxide
Smiles: [O-][N+](=O)c1cccc(c1)c1c(=O)n(OCc2ccccc2)c2c([n+]1[O-])cccc2

STK541503
Synonyms: N-{2-[(Z)-2-(4-tert-butylphenyl)-1-cyanoethenyl]-4-phenyl-1,3-thiazol-5-yl}propanamide
Smiles: N#C/C(=C/c1ccc(cc1)C(C)(C)C)/c1sc(c(n1)c1ccccc1)NC(=O)CC

STK541504
Synonyms: 3-(2-chlorophenyl)-2-(2-nitrophenyl)quinazolin-4(3H)-one
Smiles: [O-][N+](=O)c1ccccc1c1nc2ccccc2c(=O)n1c1ccccc1Cl

STK541505
Synonyms: 2-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-3-phenylquinazolin-4(3H)-one
Smiles: C/C(=C/CSc1nc2ccccc2c(=O)n1c1ccccc1)/Cl

STK541506
Synonyms: (9E)-9-(3-methoxybenzylidene)-5-(3-methoxyphenyl)-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline
Smiles: COc1cccc(c1)C1C2=C(N=c3n1c(cs3)c1ccc(cc1)C)/C(=C/c1cccc(c1)OC)/CCC2

STK541509
Synonyms: 2-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: C/C(=C\CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CC(SC3)(C)C)/Cl

STK541510
Synonyms: 4-(2-{[(2-chlorophenyl)carbamothioyl]amino}ethyl)benzenesulfonamide
Smiles: S=C(Nc1ccccc1Cl)NCCc1ccc(cc1)S(=O)(=O)N

STK541513
Synonyms: 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinazolin-4(3H)-one
Smiles: Clc1ccc(c(c1)Cl)/C=C/c1nc2ccccc2c(=O)[nH]1

STK541514
Synonyms: 2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: C=CCn1c(SCC(=O)c2ccc(cc2)F)nc2c(c1=O)c1CC(C)(C)SCc1s2

STK541515
Synonyms: N-(4-{[3-(pyrrolidin-1-yl)quinoxalin-2-yl]sulfamoyl}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1N1CCCC1

STK541516
Synonyms: 3-(3-methylphenyl)-2-(pentylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CCCCCSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCC3

STK541517
Synonyms: N~6~-benzyl-N~4~-(furan-2-ylmethyl)-7-nitro-2,1,3-benzoxadiazole-4,6-diamine
Smiles: [O-][N+](=O)c1c(NCc2ccccc2)cc(c2c1non2)NCc1ccco1

STK541518
Synonyms: 3-benzyl-5-ethyl-5-methyl-2-(pentylsulfanyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
Smiles: CCCCCSc1nc2c3ccccc3CC(c2c(=O)n1Cc1ccccc1)(C)CC

STK541519
Synonyms: N-{3-[(4-methylphenyl)sulfonyl]-1-(prop-2-en-1-yl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl}naphthalene-2-sulfonamide
Smiles: C=CCn1c2nc3ccccc3nc2c(c1NS(=O)(=O)c1ccc2c(c1)cccc2)S(=O)(=O)c1ccc(cc1)C

STK541520
Synonyms: 5-(5-chloro-2-methoxyphenyl)-4-(2,5-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(c(c1)n1c(=S)[nH]nc1c1cc(Cl)ccc1OC)OC

STK541521
Synonyms: 2-{[3-(3,4-dichlorophenyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nc2sc(c(c2c(=O)n1c1ccc(c(c1)Cl)Cl)C)C

STK541523
Synonyms: 3-(prop-2-en-1-yl)-2-thioxo-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: C=CCn1c(=S)[nH]c2c(c1=O)[nH]c1c2cccc1

STK541525
Synonyms: 11-(4-chlorophenyl)-N-(2-methoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1ccccc1Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)Cl)c(nn1c1ccccc1)C

STK541526
Synonyms: N-(1,2-dihydroacenaphthylen-5-yl)-2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]acetamide
Smiles: O=C(Nc1ccc2c3c1cccc3CC2)CN1CCN(CC1)c1sc2c(n1)ccc(c2)[N+](=O)[O-]

STK541527
Synonyms: (4E)-N-hydroxy-1,3-dimethyl-2,6-diphenylpiperidin-4-imine
Smiles: O/N=C/1\CC(c2ccccc2)N(C(C1C)c1ccccc1)C

STK541528
Synonyms: N'-[(E)-(5-bromo-2-fluorophenyl)methylidene]-2-({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetohydrazide
Smiles: O=C(CSc1nnc(s1)SCc1ccc(cc1)C)N/N=C/c1cc(Br)ccc1F

STK541529
Synonyms: 2-(4-benzylpiperazin-1-yl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CN2CCN(CC2)Cc2ccccc2)cc(c1OC)OC

STK541530
Synonyms: 2-{[6,6-dimethyl-3-(4-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(furan-2-ylmethyl)acetamide
Smiles: O=C(NCc1ccco1)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CC(SC3)(C)C

STK541531
Synonyms: 1-[(2E)-2-(3-cyclohexylpropylidene)hydrazinyl]methanediamine
Smiles: NC(N/N=C/CCC1CCCCC1)N

STK541533
Synonyms: 8-chloro-2-methyl-3-{[(E)-(4-nitrophenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: Clc1ccc2c(c1)c1nc(C)n(c(=O)c1[nH]2)/N=C/c1ccc(cc1)[N+](=O)[O-]

STK541534
Synonyms: 11-tert-butyl-3,7-bis[(4-methoxybenzyl)sulfanyl]-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine
Smiles: COc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c1n2c(SCc2ccc(cc2)OC)nn1)CCC(C3)C(C)(C)C

STK541535
Synonyms: 2-{4-[(4-bromophenyl)sulfonyl]piperazin-1-yl}-N'-{(E)-[2-(trifluoromethyl)phenyl]methylidene}acetohydrazide
Smiles: O=C(CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br)N/N=C/c1ccccc1C(F)(F)F

STK541536
Synonyms: (4E)-1-[3-(dimethylamino)propyl]-4-[hydroxy(4-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)OC)CCCN(C)C)/O

STK541537
Synonyms: (6aR,6bS,9aR,10S)-10-[(4-bromophenyl)carbonyl]-2-chloro-8-phenyl-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Clc1ccc2c(c1)N1[C@H](C=C2)[C@@H]2[C@H]([C@H]1C(=O)c1ccc(cc1)Br)C(=O)N(C2=O)c1ccccc1

STK541539
Synonyms: 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-{[2-(1,2,3,4,5,6,7,8-octahydro-9H-carbazol-9-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
Smiles: O=C(Nc1ccc2c(c1)sc(n2)SCC(=O)n1c2CCCCc2c2c1CCCC2)CSc1nc2c(s1)cc(cc2)N

STK541540
Synonyms: methyl2-(butanoylamino)-4-methyl-5-phenylthiophene-3-carboxylate
Smiles: CCCC(=O)Nc1sc(c(c1C(=O)OC)C)c1ccccc1

STK541541
Synonyms: 11-[2-(cyclohex-1-en-1-yl)ethyl]-3-(prop-2-en-1-yl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2CCC1=CCCCC1

STK541542
Synonyms: 2-(4-chloro-3-fluorophenyl)-9-(4-methylphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione
Smiles: Cc1ccc(cc1)C1N2CCCN2C2C1C(=O)N(C2=O)c1ccc(c(c1)F)Cl

STK541543
Synonyms: 11-(4-tert-butylphenyl)-10-methyl-N-(4-methylphenyl)-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Cc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccc(cc1)C(C)(C)C)C)c1ccccc1

STK541544
Synonyms: ethyl[3-cyano-5-(propan-2-yl)-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]imidoformate
Smiles: CCO/C=N/c1sc2c(c1C#N)CC(OC2)C(C)C

STK541545
Synonyms: 2-(methylsulfanyl)-6,8-diphenyl-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: CSc1nc(N)c2c(n1)sc1c2CC(SC1c1ccccc1)c1ccccc1

STK541546
Synonyms: N-(2,4-dichlorophenyl)-2-[(4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1Cl)Cl)CSc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK541547
Synonyms: N-(3-chlorophenyl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-carboxamide
Smiles: Clc1cccc(c1)NC(=O)N1CCc2c(C1)c1ccccc1[nH]2

STK541548
Synonyms: (3aS,6aS)-5-(4-acetylphenyl)-3-(4-nitrophenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Smiles: CC(=O)c1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C(=NN2c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STK541550
Synonyms: 11-benzyl-3-butyl-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: CCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1

STK541551
Synonyms: N-{2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}-2-methoxybenzamide
Smiles: COc1ccccc1C(=O)NC(C(F)(F)F)(C(F)(F)F)Nc1sc2c(n1)c(C)c(cc2)C

STK541552
Synonyms: 7-{4-[(2-chlorophenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=S)Nc1ccccc1Cl)c(c2)F

STK541553
Synonyms: 4-chloro-N-(2-{4-[(4-methylphenyl)carbonyl]piperazin-1-yl}-1,2-dihydroacenaphthylen-1-yl)benzenesulfonamide
Smiles: Cc1ccc(cc1)C(=O)N1CCN(CC1)C1c2cccc3c2c(C1NS(=O)(=O)c1ccc(cc1)Cl)ccc3

STK541554
Synonyms: 4-(benzyloxy)-N'-[(E)-pyridin-4-ylmethylidene]benzohydrazide
Smiles: O=C(c1ccc(cc1)OCc1ccccc1)N/N=C/c1ccncc1

STK541555
Synonyms: 8-ethyl-8-methyl-3-(4-methylphenyl)-2-(propylsulfanyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Smiles: CCCSc1nc2nc3CC(C)(CC)OCc3cc2c(=O)n1c1ccc(cc1)C

STK541556
Synonyms: 1-(4-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}ethanone
Smiles: Clc1ccc(cc1)C(=O)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccco1

STK541557
Synonyms: 8,8-dimethyl-3-(3-methylphenyl)-2-(propylsulfanyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Smiles: CCCSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1cccc(c1)C

STK541558
Synonyms: 2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCCC3

STK541559
Synonyms: 5-(2-methylpropyl)-8-{[4-(propan-2-yloxy)benzyl]sulfanyl}-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Smiles: CC(Cc1nc2sc3c(c2c2c1CCCC2)ncnc3SCc1ccc(cc1)OC(C)C)C

STK541560
Synonyms: 2-{4-[(4-bromophenyl)sulfonyl]piperazin-1-yl}-N'-[(E)-(2-methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1ccccc1/C=N/NC(=O)CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br

STK541562
Synonyms: 4-phenyl-2'-[4-(phenylsulfanyl)phenyl]-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: c1ccc(cc1)Sc1ccc(cc1)C1=NN2C(C1)c1ccccc1OC12CCC(CC1)c1ccccc1

STK541563
Synonyms: 2-methyl-11-(4-methylphenyl)-3-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: Cc1ccc(cc1)n1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)CCc1ccccc1

STK541565
Synonyms: 11-(4-chlorophenyl)-N-(4-ethylphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)Cl)c(nn1c1ccccc1)C

STK541566
Synonyms: N,N-dibutyl-2-[(5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)sulfanyl]acetamide
Smiles: CCCCN(C(=O)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)CCC)CCCC

STK541567
Synonyms: 1-(4-chlorophenyl)-2-(furan-2-yl)-1H-imidazo[4,5-b]quinoxaline
Smiles: Clc1ccc(cc1)n1c(nc2c1nc1ccccc1n2)c1ccco1

STK541568
Synonyms: (2E)-1-[3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-3-phenylprop-2-en-1-one
Smiles: COc1c(OC)cccc1C1CC(=NN1C(=O)/C=C/c1ccccc1)c1ccc(cc1)Br

STK541569
Synonyms: ethyl5-methoxy-3-[(propan-2-ylcarbamoyl)amino]-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)NC(C)C)cc(cc2)OC

STK541570
Synonyms: 3-amino-2-[(4-bromophenyl)carbonyl]-7,7-dimethyl-7,8-dihydrothieno[2,3-b]quinolin-5(6H)-one
Smiles: Brc1ccc(cc1)C(=O)c1sc2c(c1N)cc1c(n2)CC(CC1=O)(C)C

STK541573
Synonyms: 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-2-(3-methylbutyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: OCCN1CCN(CC1)c1c(CCC(C)C)c(C)c(c2n1c1ccccc1n2)C#N

STK541575
Synonyms: methyl4-{6-[(4-butylphenyl)amino]-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl}benzoate
Smiles: CCCCc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)C(=O)OC)c(nn1c1ccccc1)C

STK541576
Synonyms: N'-[(E)-(4-bromophenyl)methylidene]-2-[4-(4-methylbenzyl)piperazin-1-yl]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)C)N/N=C/c1ccc(cc1)Br

STK541577
Synonyms: 2-[4-(4-chlorobenzyl)piperazin-1-yl]-N'-[(E)-(3,4-dimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CN2CCN(CC2)Cc2ccc(cc2)Cl)ccc1OC

STK541579
Synonyms: N-(2-methylphenyl)-2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCCC3

STK541580
Synonyms: N-[4-(acetylamino)phenyl]-2-{[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)NC(=O)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK541581
Synonyms: (4E)-4-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-1-(3-methoxypropyl)-5-phenylpyrrolidine-2,3-dione
Smiles: COCCCN1C(=O)C(=O)/C(=C(\c2ccc(c(c2)C)OC)/O)/C1c1ccccc1

STK541582
Synonyms: (4E)-5-(2-chlorophenyl)-4-(1-hydroxyethylidene)-1-(2-methoxyethyl)pyrrolidine-2,3-dione
Smiles: COCCN1C(=O)C(=O)/C(=C(/O)\C)/C1c1ccccc1Cl

STK541583
Synonyms: methyl(1S,2S,3S)-1-acetyl-3-cyano-7-methoxy-2-(4-nitrophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: COc1ccc2c(c1)C=CC1N2[C@H](C(=O)C)[C@H]([C@]1(C#N)C(=O)OC)c1ccc(cc1)[N+](=O)[O-]

STK541584
Synonyms: 4-phenyl-N-(4-phenylbutan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine
Smiles: CC(Nc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1)CCc1ccccc1

STK541585
Synonyms: N-(3,4-dimethylphenyl)-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)C)C)nc2c1cccc2)c1ccccc1

STK541586
Synonyms: ethyl3-[(benzylcarbamothioyl)amino]-5-fluoro-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=S)NCc1ccccc1)cc(cc2)F

STK541588
Synonyms: ethylN-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,3,3-trifluoro-2-(pentanoylamino)alaninate
Smiles: CCCCC(=O)NC(C(F)(F)F)(C(=O)OCC)Nc1sc2c(n1)cc(c(c2)C)C

STK541589
Synonyms: N-[1,1,1,3,3,3-hexafluoro-2-({5-[(4-nitrophenyl)sulfonyl]-1,3-thiazol-2-yl}amino)propan-2-yl]furan-2-carboxamide
Smiles: O=C(c1ccco1)NC(C(F)(F)F)(C(F)(F)F)Nc1ncc(s1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]

STK541590
Synonyms: ethyl7-(3-bromophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Smiles: CCOC(=O)C1=NNC2(C1)CC(=O)N(C2=O)c1cccc(c1)Br

STK541591
Synonyms: 3-benzyl-6-iodo-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccc(cc1)[N+](=O)[O-])Cc1ccccc1

STK541592
Synonyms: N-[4-(acetylamino)phenyl]-2-{[3-(2-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: COc1ccccc1n1c(SCC(=O)Nc2ccc(cc2)NC(=O)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK541594
Synonyms: 2-[4-(4-chlorobenzyl)piperazin-1-yl]-N'-[(E)-thiophen-2-ylmethylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)Cl)N/N=C/c1cccs1

STK541595
Synonyms: 2-(2,6-dimethylmorpholin-4-yl)-3-{(Z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: COCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)N2CC(C)OC(C2)C)/C1=O

STK541596
Synonyms: 9-benzyl-2-(4-methoxybenzyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: COc1ccc(cc1)Cc1nn2c(n1)c1c(nc2)sc2c1CCN(C2)Cc1ccccc1

STK541597
Synonyms: 9-[(4-bromobenzyl)sulfanyl]-8-ethyl-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
Smiles: CCn1c(SCc2ccc(cc2)Br)nc2c(c1=O)c1CCc3c(c1s2)cccc3

STK541599
Synonyms: (8S,8aR,11aS)-N-(4-chlorophenyl)-10-(2,4-dichlorophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1Cl)Cl)cccc3

STK541600
Synonyms: (8R,8aR)-6-amino-2-benzyl-8-(2-methoxynaphthalen-1-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)Cc1ccccc1)c1c(OC)ccc2c1cccc2)(C#N)C#N

STK541601
Synonyms: 2-[(2-benzyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N-(diphenylmethyl)acetamide
Smiles: O=C(NC(c1ccccc1)c1ccccc1)CSc1nc(Cc2ccccc2)nc2c1c1CC(C)(C)OCc1s2

STK541602
Synonyms: 1-(4-methylphenyl)-N,4-diphenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: Cc1ccc(cc1)c1c2CCCCn3c2n(c1C(=O)Nc1ccccc1)cc3c1ccccc1

STK541603
Synonyms: 2-[(3-ethyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N,N-dipropylacetamide
Smiles: CCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1CC)CCCC3)CCC

STK541604
Synonyms: 1,1'-(9-hydroxy-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonane-3,7-diyl)dipropan-1-one
Smiles: CCC(=O)N1CC2(C)CN(CC(C1)(C2O)C)C(=O)CC

STK541606
Synonyms: (3Z)-5,5-dimethyl-3-{[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]imino}cyclohex-1-en-1-ol
Smiles: OC1=C/C(=N\c2ccc(cc2)c2nc3c(s2)ccc(c3)C)/CC(C1)(C)C

STK541607
Synonyms: 9-methyl-3-[(Z)-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(thiomorpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCSCC2)/C1=O

STK541608
Synonyms: 4-(4-chlorophenyl)-1-(4-methylphenyl)-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Smiles: C=CCNC(=S)c1c(c2ccc(cc2)C)c2c3n1cc(n3CCCC2)c1ccc(cc1)Cl

STK541610
Synonyms: 2-cyano-N-(4-ethoxyphenyl)-2-[3-(morpholin-4-yl)quinoxalin-2-yl]acetamide
Smiles: CCOc1ccc(cc1)NC(=O)C(c1nc2ccccc2nc1N1CCOCC1)C#N

STK541611
Synonyms: N-(2,4-dimethylphenyl)-2-[(3-ethyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide
Smiles: CCc1c(=O)oc2c(c1C)ccc(c2)OCC(=O)Nc1ccc(cc1C)C

STK541612
Synonyms: N~6~-benzyl-N~4~,N~4~-diethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine
Smiles: CCN(c1cc(NCc2ccccc2)c(c2c1non2)[N+](=O)[O-])CC

STK541613
Synonyms: (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione
Smiles: Cc1nnc(s1)N1C(=O)C(=O)/C(=C(\c2cccs2)/O)/C1c1cccc(c1)Oc1ccccc1

STK541614
Synonyms: 2'-(3,4-dichlorophenyl)-1-(propan-2-yl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: CC(N1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc(c(c1)Cl)Cl)C

STK541615
Synonyms: 2-amino-1-(1,3-benzodioxol-5-yl)-N-(4-fluorobenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: Fc1ccc(cc1)CNC(=O)c1c2nc3ccccc3nc2n(c1N)c1ccc2c(c1)OCO2

STK541616
Synonyms: 2-methyl-10,11-dihydro-9H-spiro[benzo[h][1,3]thiazino[2,3-b]quinazoline-6,1'-cyclohexan]-7(5H)-one
Smiles: Cc1ccc2c(c1)c1nc3SCCCn3c(=O)c1C1(C2)CCCCC1

STK541617
Synonyms: 3-{[(E)-(4-butoxyphenyl)methylidene]amino}-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: CCCCOc1ccc(cc1)/C=N/n1c(C)nc2c(c1=O)[nH]c1c2cccc1

STK541618
Synonyms: diethyl6-methyl-2-(3-nitrophenyl)-4-[(3-nitrophenyl)amino]cyclohexa-3,5-diene-1,3-dicarboxylate
Smiles: CCOC(=O)C1C(=CC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCC)Nc1cccc(c1)[N+](=O)[O-])C

STK541619
Synonyms: 2-amino-N-(4-ethoxyphenyl)-1-(4-hydroxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1)O

STK541620
Synonyms: N-(4-chlorophenyl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)N1CCc2c(C1)c1ccccc1[nH]2

STK541621
Synonyms: N-[3-(methylsulfanyl)-1-(1-pentyl-1H-benzimidazol-2-yl)propyl]benzamide
Smiles: CCCCCn1c(nc2c1cccc2)C(NC(=O)c1ccccc1)CCSC

STK541622
Synonyms: (4Z)-1-butyl-4-(1-hydroxyethylidene)-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: CCCCN1C(=O)C(=O)/C(=C(\O)/C)/C1c1ccc(cc1)OC

STK541623
Synonyms: 11-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Clc1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1cc(C)ccc1C)nc1c2cccc1

STK541625
Synonyms: 7-benzyl-2-(ethylsulfanyl)-3-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CCN(C3)Cc1ccccc1

STK541626
Synonyms: 11-(4-bromophenyl)-3-butyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: CCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(cc1)Br

STK541628
Synonyms: 2-amino-1-(9-ethyl-9H-carbazol-3-yl)-N-(2-phenylethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: CCn1c2ccc(cc2c2c1cccc2)n1c(N)c(c2c1nc1ccccc1n2)C(=O)NCCc1ccccc1

STK541629
Synonyms: phenyl(6aR,6bS,9aR,10S)-7,9-dioxo-8-[3-(trifluoromethyl)phenyl]-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxylate
Smiles: O=C([C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1cccc(c1)C(F)(F)F)C=Cc1c2cccc1)Oc1ccccc1

STK541630
Synonyms: 6-[(2Z)-2-(3,4-dihydronaphthalen-1(2H)-ylidene)hydrazinyl][1,2,4]triazolo[4,3-b]pyridazine
Smiles: c1ccc2c(c1)/C(=N\Nc1ccc3n(n1)cnn3)/CCC2

STK541631
Synonyms: 4-phenyl-N,N-dipropyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine
Smiles: CCCN(c1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1)CCC

STK541632
Synonyms: ethyl6-amino-5,7,7-tricyano-8-[3-methoxy-4-(pentyloxy)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: CCCCCOc1ccc(cc1OC)C1C2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OCC

STK541633
Synonyms: (2E)-3-(2-chloro-6,7-dimethoxyquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one
Smiles: COc1cc2cc(/C=C/C(=O)c3cccs3)c(nc2cc1OC)Cl

STK541635
Synonyms: 2-{[3-(3-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Smiles: COc1cccc(c1)n1c(SCC(=O)NCCc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK541636
Synonyms: 3-ethyl-5-{[4-(pentyloxy)benzyl]sulfanyl}-4H-1,2,4-triazole
Smiles: CCCCCOc1ccc(cc1)CSc1nnc([nH]1)CC

STK541637
Synonyms: N~6~-(2-chlorophenyl)-N~4~,N~4~-dimethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine
Smiles: [O-][N+](=O)c1c(Nc2ccccc2Cl)cc(c2c1non2)N(C)C

STK541638
Synonyms: 2-{[6,6-dimethyl-3-(3-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-phenylacetamide
Smiles: O=C(Nc1ccccc1)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(SC3)(C)C

STK541639
Synonyms: 2-[4-(2-chlorobenzyl)piperazin-1-yl]-N'-[(1E)-1-phenylethylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccccc1Cl)N/N=C(/c1ccccc1)\C

STK541640
Synonyms: 2-ethyl-3-(2-methoxyethyl)-11-(4-methylphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: COCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(cc1)C

STK541641
Synonyms: 2-(4-chloro-3-nitrophenyl)-4-(3-chlorophenyl)-5-phenyl-1H-imidazole
Smiles: Clc1cccc(c1)c1nc([nH]c1c1ccccc1)c1ccc(c(c1)[N+](=O)[O-])Cl

STK541642
Synonyms: 2-[(3-methylbutyl)sulfanyl]-3-(3-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CC(CCSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCC3)C

STK541643
Synonyms: N-(2,4-dichlorophenyl)-2-{[3-(3-methylphenyl)-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1Cl)Cl)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(OC3)C(C)C

STK541644
Synonyms: methyl4-(6-{[4-(acetylamino)phenyl]amino}-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl)benzoate
Smiles: COC(=O)c1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(cc1)NC(=O)C)c1ccccc1

STK541645
Synonyms: 3-cyclohexyl-11-(3-methylphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: Cc1cccc(c1)n1c2ncn(c(=O)c2c2c1nc1ccccc1n2)C1CCCCC1

STK541646
Synonyms: (3aS,6aS)-3,5-bis(4-nitrophenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Smiles: O=C1[C@H]2N(N=C([C@H]2C(=O)N1c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK541647
Synonyms: 2-[4-(4-chlorobenzyl)piperazin-1-yl]-N'-[(E)-(4-methylphenyl)methylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)Cl)N/N=C/c1ccc(cc1)C

STK541648
Synonyms: (2E)-N-benzyl-2-{5-bromo-2-[(2,4-dichlorobenzyl)oxy]benzylidene}hydrazinecarbothioamide
Smiles: S=C(NCc1ccccc1)N/N=C/c1cc(Br)ccc1OCc1ccc(cc1Cl)Cl

STK541649
Synonyms: (4E)-5-(4-ethoxyphenyl)-4-(1-hydroxyethylidene)-1-(2-methoxyethyl)pyrrolidine-2,3-dione
Smiles: COCCN1C(=O)C(=O)/C(=C(/O)\C)/C1c1ccc(cc1)OCC

STK541650
Synonyms: N-(2-methylphenyl)-2-{[5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}acetamide
Smiles: CC(Cc1nc2sc3c(c2c2c1CCCC2)ncnc3SCC(=O)Nc1ccccc1C)C

STK541651
Synonyms: diethyl3-methyl-5-(phenylamino)biphenyl-2,6-dicarboxylate
Smiles: CCOC(=O)c1c(Nc2ccccc2)cc(c(c1c1ccccc1)C(=O)OCC)C

STK541652
Synonyms: N-[1-(4-methoxybenzyl)-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl]naphthalene-2-sulfonamide
Smiles: COc1ccc(cc1)Cn1c2nc3ccccc3nc2c(c1NS(=O)(=O)c1ccc2c(c1)cccc2)S(=O)(=O)c1ccccc1

STK541653
Synonyms: 2-chloro-6-methyl-3-[3-(4-methylphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline
Smiles: Cc1ccc(cc1)C1=NN(C(C1)c1cc2cc(C)ccc2nc1Cl)S(=O)(=O)C

STK541654
Synonyms: (2E)-1-[5-(4-fluorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-3-phenylprop-2-en-1-one
Smiles: Fc1ccc(cc1)C1CC(=NN1C(=O)/C=C/c1ccccc1)c1ccccc1

STK541656
Synonyms: 2-ethyl-3-methyl-1-{4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl}pyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1N1CCN(CC1)CCOc1ccc(cc1)C)c1ccccc1n2

STK541657
Synonyms: [3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl](2-chlorophenyl)methanone
Smiles: Brc1ccc(cc1)C1=NN(C(C1)c1ccco1)C(=O)c1ccccc1Cl

STK541660
Synonyms: 3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(butan-2-ylamino)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCC(Nc1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccc2c(c1)OCO2)C

STK541661
Synonyms: 2-amino-1-(3,4-dimethoxyphenyl)-N-pentyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: CCCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(c(c1)OC)OC

STK541662
Synonyms: ethyl5-methoxy-3-{[3-(thiomorpholin-4-yl)propanoyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCSCC1)cc(cc2)OC

STK541664
Synonyms: diethyl(6Z)-2-(3,4-dimethoxyphenyl)-4-hydroxy-6-(hydroxyimino)-4-methylcyclohexane-1,3-dicarboxylate
Smiles: CCOC(=O)C1/C(=N\O)/CC(C(C1c1ccc(c(c1)OC)OC)C(=O)OCC)(C)O

STK541665
Synonyms: 2-[4-(4-chlorobenzyl)piperazin-1-yl]-N'-[(1E,2Z)-2-chloro-3-phenylprop-2-en-1-ylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)Cl)N/N=C/C(=C/c1ccccc1)/Cl

STK541666
Synonyms: 9'-bromo-2'-(2,4-dichlorophenyl)-4-phenyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCC(CC1)c1ccccc1)c1ccc(cc1Cl)Cl

STK541667
Synonyms: diphenylmethyl(6aR,6bS,9aR,10S)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxylate
Smiles: O=C([C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc3c(c1)OCCO3)C=Cc1c2cccc1)OC(c1ccccc1)c1ccccc1

STK541669
Synonyms: 8-benzyl-4-(3-methylphenyl)-1-{[4-(propan-2-yloxy)benzyl]sulfanyl}-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CC(Oc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CCN(C3)Cc1ccccc1)C

STK541671
Synonyms: N-{[4'-(acetyloxy)biphenyl-3-yl]carbonyl}glycine
Smiles: OC(=O)CNC(=O)c1cccc(c1)c1ccc(cc1)OC(=O)C

STK541672
Synonyms: N-[1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-4-chlorobenzamide
Smiles: CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1ccc(cc1)Cl

STK541673
Synonyms: 2-amino-1-pentyl-N-(tetrahydrofuran-2-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: CCCCCn1c(N)c(c2c1nc1ccccc1n2)C(=O)NCC1CCCO1

STK541674
Synonyms: N-(4-methylphenyl)-2-{[3-(3-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCCC3

STK541675
Synonyms: ethyl(3,3-dimethylbut-1-yn-1-yl)[phenyl(phenylamino)methyl]phosphinate
Smiles: CCOP(=O)(C(c1ccccc1)Nc1ccccc1)C#CC(C)(C)C

STK541676
Synonyms: N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]benzenesulfonamide
Smiles: Fc1ccc(cc1)C(c1ccco1)CCNS(=O)(=O)c1ccccc1

STK541677
Synonyms: methyl(1R,2R,3S)-1-[(4-chlorophenyl)carbonyl]-3-cyano-2-[4-(dimethylamino)phenyl]-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@@H](c2ccc(cc2)N(C)C)[C@@H](N2C1C=Cc1c2cccc1)C(=O)c1ccc(cc1)Cl

STK541679
Synonyms: N-(3-methoxyphenyl)-2-[(3,6,6-trimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nc2sc3c(c2c(=O)n1C)CC(OC3)(C)C

STK541680
Synonyms: 6-chloro-2-[3-(4-methylphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-phenylquinazoline
Smiles: Cc1ccc(cc1)C1=NN(C(C1)c1cccc(c1)[N+](=O)[O-])c1nc2ccc(cc2c(n1)c1ccccc1)Cl

STK541681
Synonyms: 6,6-dimethyl-3-(4-methylphenyl)-2-(propylsulfanyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CCCSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CC(SC3)(C)C

STK541682
Synonyms: 2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-8-ethyl-8-methyl-3-(4-methylphenyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Smiles: CCC1(C)OCc2c(C1)nc1c(c2)c(=O)n(c(n1)SCc1ccc2c(c1)OCO2)c1ccc(cc1)C

STK541683
Synonyms: (2Z)-2-cyano-2-[5-(3,4-dichlorobenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(3,4-dichlorophenyl)ethanamide
Smiles: N#C/C(=C\1/SC(C(=O)N1c1ccccc1)Cc1ccc(c(c1)Cl)Cl)/C(=O)Nc1ccc(c(c1)Cl)Cl

STK541684
Synonyms: 4,7-di(morpholin-4-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: O1CCN(CC1)c1nc2sc3c(c2c2c1CCC2)ncnc3N1CCOCC1

STK541685
Synonyms: 1-(hexylsulfanyl)-4-(2-phenylethyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CCCCCCSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CCCC3

STK541687
Synonyms: 2-propyl-3-{[(E)-(3,4,5-trimethoxyphenyl)methylidene]amino}quinazolin-4(3H)-one
Smiles: CCCc1nc2ccccc2c(=O)n1/N=C/c1cc(OC)c(c(c1)OC)OC

STK541691
Synonyms: (6aR,6bS,9aR,10S)-8-(1,3-benzodioxol-5-yl)-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)c1ccc3c(c1)OCO3)C=Cc1c2cccc1

STK541692
Synonyms: 11-(4-bromophenyl)-3-(2-methoxyethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: COCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(cc1)Br

STK541693
Synonyms: 3-{(Z)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-(thiomorpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: COc1ccc(cc1)CN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCSCC2)/C1=O

STK541694
Synonyms: (2E)-2-cyano-N-(4-methoxyphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
Smiles: COc1ccc(cc1)NC(=O)/C(=C/c1ccc(o1)C1CC1C)/C#N

STK541695
Synonyms: 6-{(2E)-2-[4-(benzyloxy)benzylidene]hydrazinyl}[1,2,4]triazolo[4,3-b]pyridazine
Smiles: c1ccc(cc1)COc1ccc(cc1)/C=N/Nc1ccc2n(n1)cnn2

STK541698
Synonyms: ethyl2-[(3E)-3-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-2-(2-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Smiles: CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc(c(c2)C)OC)/O)/C1c1ccccc1OC

STK541699
Synonyms: (6aR,6bS,9aR,10S)-8-(2-chloro-5-nitrophenyl)-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Clc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)c1ccccc1)[N+](=O)[O-]

STK541700
Synonyms: 2-(2,6-dimethylmorpholin-4-yl)-3-{(Z)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: COc1ccc(cc1)CN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CC(C)OC(C2)C)/C1=O

STK541701
Synonyms: 2-{[2-(2-hydroxyethoxy)ethyl]amino}-9-methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: OCCOCCNc1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccc(cc1)C

STK541705
Synonyms: diphenylmethyl(6aR,6bS,9aR,10S)-8-(3-fluorophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxylate
Smiles: Fc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)OC(c1ccccc1)c1ccccc1

STK541706
Synonyms: 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-N-pentyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: CCCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccc2c(c1)OCO2

STK541707
Synonyms: 6-amino-3-methyl-1-(4-methylphenyl)-4-[4-(propan-2-yloxy)phenyl]-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(cc1)OC(C)C)c(C)nn2c1ccc(cc1)C

STK541709
Synonyms: 4-(4-chlorophenyl)-2-(4-nitrophenyl)-5-phenyl-1H-imidazole
Smiles: Clc1ccc(cc1)c1nc([nH]c1c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STK541710
Synonyms: 2-[4-(4-chlorobenzyl)piperazin-1-yl]-N'-[(E)-naphthalen-1-ylmethylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)Cl)N/N=C/c1cccc2c1cccc2

STK541711
Synonyms: 2-(4-{[4-(butoxycarbonyl)phenyl]carbamothioyl}piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylicacid
Smiles: CCCCOC(=O)c1ccc(cc1)NC(=S)N1CCN(CC1)c1ncc2c(n1)n(CC)cc(c2=O)C(=O)O

STK541714
Synonyms: 2-{4-[(4-bromophenyl)sulfonyl]piperazin-1-yl}-N'-[(E)-(2-fluorophenyl)methylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br)N/N=C/c1ccccc1F

STK541715
Synonyms: (3aR,6aS)-3-(3,4-dimethoxyphenyl)-5-(4-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: COc1ccc(cc1OC)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-]

STK541716
Synonyms: (2E)-N-ethyl-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}ethanethioamide
Smiles: CCNC(=S)/C=N/NC(=O)CSc1nnc(s1)SCc1ccc(cc1)C

STK541717
Synonyms: 8-chloro-4-(4-ethylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole
Smiles: CCN1CCN(CC1)c1ncnc2c1[nH]c1c2cc(cc1)Cl

STK541718
Synonyms: (8S)-2-acetyl-6-amino-8-(3-methoxy-4-propoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: CCCOc1ccc(cc1OC)[C@@H]1C2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)C

STK541719
Synonyms: methyl(1S,2R,3R)-2-(4-bromophenyl)-1-cyano-3-(phenylcarbonyl)-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@@H](c2ccc(cc2)Br)[C@@H](N2C1c1ccccc1C=C2)C(=O)c1ccccc1

STK541720
Synonyms: 2,7-bis(3-bromophenyl)-2,4,5,7,9,10-hexahydrocycloocta[1,2-c:5,6-c']dipyrrole
Smiles: Brc1cccc(c1)n1cc2c(c1)CCc1c(CC2)cn(c1)c1cccc(c1)Br

STK541721
Synonyms: 2-amino-1-(4-ethoxyphenyl)-N-(prop-2-en-1-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: C=CCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1)OCC

STK541722
Synonyms: (3aR,4S,9aR,9bS)-4-[(4-bromophenyl)carbonyl]-2-(2,4-dichlorophenyl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione
Smiles: Brc1ccc(cc1)C(=O)[C@H]1N2C=CC(=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1Cl)Cl)C(=O)c1ccccc1

STK541723
Synonyms: (3aR,6aS)-5-(4-bromophenyl)-3-(4-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Brc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)ON=C2c1ccc(cc1)[N+](=O)[O-]

STK541725
Synonyms: 3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(thiomorpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: S=C1S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCSCC2)/C(=O)N1CCc1ccccc1

STK541726
Synonyms: (2E)-2-cyano-3-(2-hydroxy-5-methoxyphenyl)-N-(pyridin-3-yl)prop-2-enamide
Smiles: COc1ccc(c(c1)/C=C(/C(=O)Nc1cccnc1)\C#N)O

STK541729
Synonyms: 4-(3-bromophenyl)-2-(4-butoxyphenyl)-6H-1,3-oxazin-6-one
Smiles: CCCCOc1ccc(cc1)c1oc(=O)cc(n1)c1cccc(c1)Br

STK541731
Synonyms: diphenylmethyl(8S,8aR,11aS)-9,11-dioxo-10-phenyl-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylate
Smiles: O=C([C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1)cccc3)OC(c1ccccc1)c1ccccc1

STK541732
Synonyms: (4E)-1-[2-(dimethylamino)ethyl]-4-[hydroxy(4-methylphenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
Smiles: CN(CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/O)/C1c1ccccc1)C

STK541733
Synonyms: 2-{[3-(3-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Smiles: COc1cccc(c1)n1c(SCC(=O)Nc2cccc3c2cccc3)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK541734
Synonyms: [(1R,2S,3R,3aR)-2-(4-bromophenyl)-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl](4-chlorophenyl)methanone
Smiles: Clc1ccc(cc1)C(=O)[C@H]1[C@H](c2ccc(cc2)Br)[C@H]([C@@H]2N1c1ccccc1C=C2)[N+](=O)[O-]

STK541735
Synonyms: 1-(4-methoxybenzyl)-N-(2-phenylethyl)-2-[(phenylsulfonyl)amino]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: COc1ccc(cc1)Cn1c(NS(=O)(=O)c2ccccc2)c(c2c1nc1ccccc1n2)C(=O)NCCc1ccccc1

STK541737
Synonyms: 1-(furan-2-ylmethyl)-2-imino-10-methyl-5-oxo-N-(prop-2-en-1-yl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Smiles: C=CCNC(=O)c1cc2c(n(c1=N)Cc1ccco1)nc1n(c2=O)cccc1C

STK541738
Synonyms: 9-[(3-bromobenzyl)sulfanyl]-8-(4-methoxyphenyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
Smiles: COc1ccc(cc1)n1c(SCc2cccc(c2)Br)nc2c(c1=O)c1CCc3c(c1s2)cccc3

STK541739
Synonyms: ethyl(8R,8aR)-6-amino-5,7,7-tricyano-8-(2-fluorophenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: CCOC(=O)N1CC=C2[C@H](C1)[C@@H](c1ccccc1F)C(C(=C2C#N)N)(C#N)C#N

STK541740
Synonyms: 2-[4-(benzyloxy)-3-methoxyphenyl]-5-(2-methyl-5-nitrophenyl)-4-phenyl-1H-imidazole
Smiles: COc1cc(ccc1OCc1ccccc1)c1[nH]c(c(n1)c1ccccc1)c1cc(ccc1C)[N+](=O)[O-]

STK541742
Synonyms: 3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: OCCCNc1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccc2c(c1)OCO2)C

STK541743
Synonyms: ethyl2-{[(2Z)-2-cyano-3-(2-hydroxyphenyl)prop-2-enoyl]amino}-4-(4-fluorophenyl)thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(scc1c1ccc(cc1)F)NC(=O)/C(=C\c1ccccc1O)/C#N

STK541744
Synonyms: 8-(benzyloxy)-2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1ncnc2OCc1ccccc1

STK541746
Synonyms: (8S,8aR,11aS)-N-(4-chlorophenyl)-10-(naphthalen-2-yl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)cccc2)cccc3

STK541747
Synonyms: ethyl3-[(benzylcarbamothioyl)amino]-5-methoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=S)NCc1ccccc1)cc(cc2)OC

STK541748
Synonyms: 3-benzyl-5-ethyl-5-methyl-2-(propan-2-ylsulfanyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
Smiles: CCC1(C)Cc2ccccc2c2c1c(=O)n(c(n2)SC(C)C)Cc1ccccc1

STK541750
Synonyms: 3-(2-phenylethyl)-6-(propan-2-yl)-2-(prop-2-en-1-ylsulfanyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: C=CCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(OC3)C(C)C

STK541751
Synonyms: (8S,8aR,11aS)-10-(2-chlorophenyl)-N-(4-chlorophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1Cl)cccc3

STK541752
Synonyms: N'-(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-2-(4-methoxyphenyl)acetohydrazide
Smiles: COc1ccc(cc1)CC(=O)NNc1ncnc2c1cnn2Cc1ccccc1

STK541753
Synonyms: 2-cyano-2-[3-(dibutylamino)quinoxalin-2-yl]-N-hexylacetamide
Smiles: CCCCCCNC(=O)C(c1nc2ccccc2nc1N(CCCC)CCCC)C#N

STK541754
Synonyms: 4-oxo-4-[3-phenyl-5-(quinoxalin-6-yl)-4,5-dihydro-1H-pyrazol-1-yl]butanoicacid
Smiles: OC(=O)CCC(=O)N1N=C(CC1c1ccc2c(c1)nccn2)c1ccccc1

STK541755
Synonyms: methyl3-{[(4-methoxyphenyl)carbamoyl]amino}-5-methyl-1H-indole-2-carboxylate
Smiles: COc1ccc(cc1)NC(=O)Nc1c([nH]c2c1cc(C)cc2)C(=O)OC

STK541756
Synonyms: 3-benzyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: O=C(N1CCCCC1)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3

STK541757
Synonyms: 2-(3-bromophenyl)-1-(4-chlorophenyl)-1H-imidazo[4,5-b]quinoxaline
Smiles: Brc1cccc(c1)c1nc2c(n1c1ccc(cc1)Cl)nc1c(n2)cccc1

STK541758
Synonyms: methyl4-{2-[(2E)-2-(3,4-dimethoxybenzylidene)hydrazinyl]-2-oxoethoxy}benzoate
Smiles: COC(=O)c1ccc(cc1)OCC(=O)N/N=C/c1ccc(c(c1)OC)OC

STK541760
Synonyms: 11-(3-bromophenyl)-N-(3-chlorophenyl)-10-methyl-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)Cl)c1ccccc1

STK541761
Synonyms: 3-{(Z)-[3-(4-fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: Fc1ccc(cc1)CN1C(=S)S/C(=C\c2c(NCCCn3cncc3)nc3n(c2=O)cccc3C)/C1=O

STK541762
Synonyms: 11-(4-chlorophenyl)-N-(4-methoxyphenyl)-10-methyl-8-(4-nitrophenyl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccc(cc1)Cl)C)c1ccc(cc1)[N+](=O)[O-]

STK541764
Synonyms: methyl2-({3-[4-(diphenylmethyl)piperazin-1-yl]quinoxalin-2-yl}amino)-4,5-dimethylthiophene-3-carboxylate
Smiles: COC(=O)c1c(Nc2nc3ccccc3nc2N2CCN(CC2)C(c2ccccc2)c2ccccc2)sc(c1C)C

STK541765
Synonyms: ethyl3-{[(3,4-dimethoxyphenyl)carbonyl]amino}-5-methoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1ccc(c(c1)OC)OC)cc(cc2)OC

STK541766
Synonyms: 4-hexyl-3-methyl-2,6-bis(4-methylphenyl)piperidin-4-ol
Smiles: CCCCCCC1(O)CC(NC(C1C)c1ccc(cc1)C)c1ccc(cc1)C

STK541767
Synonyms: (6aR,6bS,9aR,10S)-8-(4-bromophenyl)-N-(4-chlorophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(cc1)Br)C=Cc1c2cccc1

STK541769
Synonyms: (4Z)-4-(1-hydroxyethylidene)-1-(4-methoxyphenyl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)N1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/O)\C)/C(=O)C1=O

STK541770
Synonyms: N-(3,4-dichlorophenyl)-2-[(4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)Cl)CSc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK541771
Synonyms: 2-[(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
Smiles: O=C(CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3)NCCc1ccccc1

STK541773
Synonyms: 3-{(Z)-[3-(3-ethoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-hydroxyethyl)amino]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: OCCNc1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CCCOCC)C

STK541774
Synonyms: 2-[(E)-2-(4-methylphenyl)ethenyl]-3-phenylquinazolin-4(3H)-one
Smiles: Cc1ccc(cc1)/C=C/c1nc2ccccc2c(=O)n1c1ccccc1

STK541775
Synonyms: 2-[(4-amino-6,6-dimethyl-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-phenylbutan-2-yl)acetamide
Smiles: CC(NC(=O)CSc1nc(N)c2c(n1)sc1c2CC(SC1)(C)C)CCc1ccccc1

STK541776
Synonyms: ethyl2-{[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(pentanoylamino)propan-2-yl]amino}-1,3-benzothiazole-6-carboxylate
Smiles: CCCCC(=O)NC(C(F)(F)F)(C(=O)OCC)Nc1sc2c(n1)ccc(c2)C(=O)OCC

STK541777
Synonyms: N-cyclohexyl-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine
Smiles: C1CCC(CC1)Nc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK541778
Synonyms: 3,7-bis[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-11-tert-butyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine
Smiles: CC(C1CCc2c(C1)sc1c2c2nnc(n2c2n1c(SCc1ccc3c(c1)OCO3)nn2)SCc1ccc2c(c1)OCO2)(C)C

STK541779
Synonyms: 2,2-dimethyl-N'-[(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)acetyl]propanehydrazide
Smiles: O=C(CN1CCn2c3C1CCCc3c1c2ccc(c1)C)NNC(=O)C(C)(C)C

STK541780
Synonyms: 3-benzyl-2-[(Z)-(5-bromo-1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-6-iodoquinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C\1/c2cc(Br)ccc2N(C1=O)C)Cc1ccccc1

STK541781
Synonyms: 8-ethoxy-2,2-dimethyl-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CCOc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)C(C)C

STK541782
Synonyms: 2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-{[2-oxo-2-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
Smiles: O=C(Nc1ccc2c(c1)sc(n2)SCC(=O)n1c2CCCCc2c2c1cccc2)CSc1nnc(n1C)c1ccccc1

STK541783
Synonyms: 3,6-diamino-N-{2-[(3-bromobenzyl)sulfanyl]phenyl}-5-cyanothieno[2,3-b]pyridine-2-carboxamide
Smiles: N#Cc1cc2c(nc1N)sc(c2N)C(=O)Nc1ccccc1SCc1cccc(c1)Br

STK541785
Synonyms: 2-amino-1-(1,3-benzodioxol-5-yl)-N-(2-methoxybenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: COc1ccccc1CNC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc2c(c1)OCO2

STK541786
Synonyms: (4S,4aR)-2-amino-4-(3,4-diethoxyphenyl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Smiles: CCOc1cc(ccc1OCC)[C@@H]1[C@H]2CCCC=C2C(=C(C1(C#N)C#N)N)C#N

STK541787
Synonyms: 6-chloro-2-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-1,3-benzoxazole
Smiles: Fc1ccc(cc1)/C=N/Nc1nc2c(o1)cc(cc2)Cl

STK541788
Synonyms: N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-2-[4-(4-methylbenzyl)piperazin-1-yl]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)C)N/N=C/c1ccc(cc1)N(C)C

STK541789
Synonyms: 3-({(E)-[4-(decyloxy)phenyl]methylidene}amino)-2,8-dimethyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: CCCCCCCCCCOc1ccc(cc1)/C=N/n1c(C)nc2c(c1=O)[nH]c1c2cc(cc1)C

STK541790
Synonyms: 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N'-{(E)-[4-(pentyloxy)phenyl]methylidene}acetohydrazide
Smiles: CCCCCOc1ccc(cc1)/C=N/NC(=O)CSc1nnc(s1)SCc1ccccc1

STK541792
Synonyms: ethyl3-{[(4-fluorophenyl)carbamothioyl]amino}-5-methoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=S)Nc1ccc(cc1)F)cc(cc2)OC

STK541794
Synonyms: 2-(butylsulfanyl)-6-iodo-3-(2-methylphenyl)quinazolin-4(3H)-one
Smiles: CCCCSc1nc2ccc(cc2c(=O)n1c1ccccc1C)I

STK541795
Synonyms: 3-benzyl-5-ethyl-5-methyl-2-[(3-methylbutyl)sulfanyl]-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
Smiles: CCC1(C)Cc2ccccc2c2c1c(=O)n(c(n2)SCCC(C)C)Cc1ccccc1

STK541796
Synonyms: 2-(3,4-dimethoxyphenyl)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: COc1cc(ccc1OC)c1nn2c(n1)c1c(nc2)sc2c1CC(C)(C)OC2

STK541797
Synonyms: 4-amino-6-methyl-2-(trifluoromethyl)quinoline-3-carbonitrile
Smiles: N#Cc1c(N)c2cc(C)ccc2nc1C(F)(F)F

STK541799
Synonyms: ethyl5-bromo-3-({3-[4-(2-fluorophenyl)piperazin-1-yl]propanoyl}amino)-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)c1ccccc1F)cc(cc2)Br

STK541800
Synonyms: 1-(3-chlorophenyl)-2-(4-nitrophenyl)-1H-imidazo[4,5-b]quinoxaline
Smiles: Clc1cccc(c1)n1c(nc2c1nc1ccccc1n2)c1ccc(cc1)[N+](=O)[O-]

STK541801
Synonyms: (4E)-5-(2,4-dichlorophenyl)-4-[hydroxy(4-methoxy-2-methylphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Smiles: COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1Cl)Cl)Cc1cccnc1)/O

STK541802
Synonyms: diphenylmethyl(6aR,6bS,9aR,10S)-8-(naphthalen-1-yl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxylate
Smiles: O=C([C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1cccc3c1cccc3)C=Cc1c2cccc1)OC(c1ccccc1)c1ccccc1

STK541803
Synonyms: 3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[3-(1H-imidazol-1-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCC(N1C(=S)S/C(=C\c2c(NCCCn3ccnc3)nc3n(c2=O)cccc3)/C1=O)C

STK541804
Synonyms: methyl[(4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)sulfanyl]acetate
Smiles: COC(=O)CSc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK541805
Synonyms: N'-[(1E)-1-(2-hydroxyphenyl)ethylidene]-2-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nc2ccccc2c(=O)n1c1ccccc1)N/N=C(/c1ccccc1O)\C

STK541806
Synonyms: 11-[2-(cyclohex-1-en-1-yl)ethyl]-3-cyclohexyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: O=c1c2c(ncn1C1CCCCC1)n(c1c2nc2ccccc2n1)CCC1=CCCCC1

STK541807
Synonyms: N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]-2-{[5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: COc1cc(ccc1OC)c1nnc(n1CC)SCC(=O)N/N=C/c1cc(ccc1Cl)[N+](=O)[O-]

STK541808
Synonyms: 3-(3-methoxyphenyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: COc1cccc(c1)n1c(SCC(=C)C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK541809
Synonyms: 2,2'-(11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine-3,7-diyldisulfanediyl)diacetamide
Smiles: NC(=O)CSc1nnc2n1c1sc3c(c1c1n2c(SCC(=O)N)nn1)CCC3

STK541811
Synonyms: (4E)-1-[2-(dimethylamino)ethyl]-5-[4-(dimethylamino)phenyl]-4-[hydroxy(4-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)N(C)C)CCN(C)C)/O

STK541814
Synonyms: 9'-bromo-2'-(4-fluorophenyl)-2,2-dimethyl-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: Fc1ccc(cc1)C1=NN2C(C1)c1cc(Br)ccc1OC12CCOC(C1)(C)C

STK541815
Synonyms: 2-[(4-chlorobenzyl)sulfanyl]-3-(3-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: Cc1cccc(c1)n1c(SCc2ccc(cc2)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK541818
Synonyms: 2-(hexylsulfanyl)-8,8-dimethyl-3-(4-methylphenyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Smiles: CCCCCCSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1ccc(cc1)C

STK541819
Synonyms: 3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(thiomorpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: Cc1ccc(cc1)CN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCSCC2)/C1=O

STK541820
Synonyms: (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(2-iodophenyl)prop-2-enamide
Smiles: N#C/C(=C\c1ccc(c(c1)OC)O)/C(=O)Nc1ccccc1I

STK541821
Synonyms: 3,7-bis[(3,5-dinitrophenyl)carbonyl]-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Smiles: O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])N1CC2(C)CN(CC(C1)(C2=O)C)C(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

STK541823
Synonyms: 3-(butylsulfanyl)-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]pyrimidine
Smiles: CCCCSc1nnc2n1cnc1c2sc2c1c1CC(C)(C)OCc1c(n2)N1CCOCC1

STK541824
Synonyms: 1,1'-(2,8-dibromo-4b,9b-diphenyl-4b,9b-dihydroindolo[3,2-b]indole-5,10-diyl)diethanone
Smiles: Brc1ccc2c(c1)N(C(=O)C)C1(C2(c2ccccc2)N(C(=O)C)c2c1cc(cc2)Br)c1ccccc1

STK541826
Synonyms: 2-methyl-N-(pyridin-3-ylmethyl)-5-(4-{[3-(trifluoromethyl)phenyl]amino}phthalazin-1-yl)benzenesulfonamide
Smiles: Cc1ccc(cc1S(=O)(=O)NCc1cccnc1)c1nnc(c2c1cccc2)Nc1cccc(c1)C(F)(F)F

STK541827
Synonyms: N-(4-acetylphenyl)-2-[(4-methyl-5-oxo-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(Nc1ccc(cc1)C(=O)C)CSc1nnc2n1c1sc3c(c1c(=O)n2C)CCCC3

STK541828
Synonyms: 4-butoxy-N'-[(E)-1H-indol-3-ylmethylidene]benzohydrazide
Smiles: CCCCOc1ccc(cc1)C(=O)N/N=C/c1c[nH]c2c1cccc2

STK541830
Synonyms: N'-{(E)-[4-(diethylamino)phenyl]methylidene}-2-[4-(4-methylbenzyl)piperazin-1-yl]acetohydrazide
Smiles: CCN(c1ccc(cc1)/C=N/NC(=O)CN1CCN(CC1)Cc1ccc(cc1)C)CC

STK541831
Synonyms: 2-iodo-N-{[4-(2-methoxyphenyl)piperazin-1-yl]carbonothioyl}benzamide
Smiles: COc1ccccc1N1CCN(CC1)C(=S)NC(=O)c1ccccc1I

STK541832
Synonyms: N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-4-(benzyloxy)benzohydrazide
Smiles: O=C(c1ccc(cc1)OCc1ccccc1)N/N=C/c1ccc2c(c1)OCO2

STK541835
Synonyms: N-(furan-2-ylmethyl)-2-{[5-oxo-4-(2-phenylethyl)-7-(propan-2-yl)-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}acetamide
Smiles: O=C(NCc1ccco1)CSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CC(OC3)C(C)C

STK541838
Synonyms: 2-[(2-methylphenoxy)methyl]-3-{[(E)-(3-nitrophenyl)methylidene]amino}quinazolin-4(3H)-one
Smiles: Cc1ccccc1OCc1nc2ccccc2c(=O)n1/N=C/c1cccc(c1)[N+](=O)[O-]

STK541841
Synonyms: 3-(3-methoxyphenyl)-2-(prop-2-en-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: C=CCSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)OC)CCCC3

STK541842
Synonyms: 2-[(3-ethyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-(2-nitrophenyl)acetamide
Smiles: CCc1c(=O)oc2c(c1C)ccc(c2)OCC(=O)Nc1ccccc1[N+](=O)[O-]

STK541843
Synonyms: 2-{[3-(morpholin-4-yl)propyl]amino}-3-{(Z)-[4-oxo-3-(1-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: S=C1S/C(=C\c2c(NCCCN3CCOCC3)nc3n(c2=O)cccc3)/C(=O)N1C(c1ccccc1)C

STK541845
Synonyms: N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetohydrazide
Smiles: O=C(CSc1nnc(s1)SCc1ccc(cc1)C)N/N=C/c1c(C)nn(c1C)c1ccccc1

STK541846
Synonyms: 2-[(2,4-dichlorobenzyl)sulfanyl]-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: Clc1ccc(c(c1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCC3

STK541848
Synonyms: methyl4-methyl-5-phenyl-2-{[(3,4,5-trimethoxyphenyl)carbonyl]amino}thiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=O)c2cc(OC)c(c(c2)OC)OC)sc(c1C)c1ccccc1

STK541849
Synonyms: 1-(naphthalen-1-yl)-3-[(2-phenylethyl)amino]pyrrolidine-2,5-dione
Smiles: O=C1CC(C(=O)N1c1cccc2c1cccc2)NCCc1ccccc1

STK541850
Synonyms: N'-[(1E)-1-(4-bromophenyl)ethylidene]-2-[4-(4-chlorobenzyl)piperazin-1-yl]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)Cl)N/N=C(/c1ccc(cc1)Br)\C

STK541851
Synonyms: 2-[(3-cyclohexyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCCCC1)CCCCC3

STK541852
Synonyms: 11-(2-fluorophenyl)-N-(4-methoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccccc2F)c(nn1c1ccccc1)C

STK541853
Synonyms: N-(4-methoxyphenyl)-2-{[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCCC3

STK541854
Synonyms: ethyl5-methoxy-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate
Smiles: C=CCNC(=S)Nc1c([nH]c2c1cc(OC)cc2)C(=O)OCC

STK541855
Synonyms: 3-(3-methylphenyl)-2-(propan-2-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CC(Sc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCC3)C

STK541856
Synonyms: (6aR,6bS,9aR,10S)-8-(2-methyl-5-nitrophenyl)-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Cc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)c1ccccc1)[N+](=O)[O-]

STK541857
Synonyms: tert-butyl(8S,8aR)-6-amino-5,7,7-tricyano-8-(3,4-diethoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: CCOc1cc(ccc1OCC)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OC(C)(C)C

STK541858
Synonyms: (4Z)-1-hexyl-4-(1-hydroxyethylidene)-5-(4-methylphenyl)pyrrolidine-2,3-dione
Smiles: CCCCCCN1C(c2ccc(cc2)C)/C(=C(/O)\C)/C(=O)C1=O

STK541859
Synonyms: ethyl1-{[(E)-ethoxymethylidene]amino}-5-phenyl-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate
Smiles: CCOC(=O)c1sc2c(c1/N=C/OCC)c1CCCc1c(n2)c1ccccc1

STK541860
Synonyms: 6,6-dimethyl-3-(4-methylphenyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CC(=C)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CC(SC3)(C)C

STK541861
Synonyms: N-hexyl-2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-thiopyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-8-amine
Smiles: CCCCCCNc1nnnc2c1sc1c2c2CC(C)(C)SCc2c(n1)N1CCOCC1

STK541863
Synonyms: 2-(4-bromo-3-nitrophenyl)-4-(3-chlorophenyl)-5-phenyl-1H-imidazole
Smiles: Clc1cccc(c1)c1nc([nH]c1c1ccccc1)c1ccc(c(c1)[N+](=O)[O-])Br

STK541867
Synonyms: N-(4-methoxyphenyl)-10-methyl-8,11-diphenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccccc2)c(nn1c1ccccc1)C

STK541868
Synonyms: 8-bromo-4-(morpholin-4-yl)-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepine
Smiles: Brc1ccc2c(c1)CNc1c(O2)ncnc1N1CCOCC1

STK541869
Synonyms: 7,7-dimethyl-4-(3-methylphenyl)-1-(methylsulfanyl)-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: CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CC(OC3)(C)C

STK541871
Synonyms: 5-[5-(3-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoicacid
Smiles: OC(=O)CCCC(=O)N1N=C(CC1c1cccc(c1)[N+](=O)[O-])c1ccccc1

STK541872
Synonyms: N-phenyl-2-[(4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccccc1)CSc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK541873
Synonyms: N-benzyl-N-methyl-5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine
Smiles: CN(c1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1)Cc1ccccc1

STK541874
Synonyms: 2-cyano-N-cyclopropyl-2-(3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}quinoxalin-2-yl)acetamide
Smiles: N#CC(c1nc2ccccc2nc1N1CCN(CC1)C/C=C/c1ccccc1)C(=O)NC1CC1

STK541877
Synonyms: N~6~-benzyl-N~4~,N~4~-dibutyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine
Smiles: CCCCN(c1cc(NCc2ccccc2)c(c2c1non2)[N+](=O)[O-])CCCC

STK541878
Synonyms: 2,2'-{[3-nitro-4-(pentyloxy)benzyl]imino}diethanol
Smiles: CCCCCOc1ccc(cc1[N+](=O)[O-])CN(CCO)CCO

STK541879
Synonyms: 7-methoxy-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: COc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK541881
Synonyms: ethyl3-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propanoyl]amino}-5-fluoro-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCc3c(C1)cccc3)cc(cc2)F

STK541882
Synonyms: ethyl5-fluoro-3-{[3-(piperidin-1-yl)propanoyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCCCC1)cc(cc2)F

STK541883
Synonyms: ethyl3-[(N,N-diethyl-beta-alanyl)amino]-5-fluoro-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN(CC)CC)cc(cc2)F

STK541884
Synonyms: 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinoline
Smiles: Clc1ccc(c(c1)Cl)/C=C/c1ccc2c(n1)cccc2

STK541886
Synonyms: N'-[(E)-(2-chlorophenyl)methylidene]-2-{[5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: COc1cc(ccc1OC)c1nnc(n1CC)SCC(=O)N/N=C/c1ccccc1Cl

STK541887
Synonyms: methyl4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1C(=C(N)Oc2c1c([nH]n2)C(F)(F)F)C#N

STK541888
Synonyms: (3E)-5,5-dimethyl-3-[(4-methylphenyl)imino]cyclohex-1-en-1-ol
Smiles: OC1=C/C(=N/c2ccc(cc2)C)/CC(C1)(C)C

STK541889
Synonyms: {(1S,2R,3S)-2-[4-(dimethylamino)phenyl]-1-nitro-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl}(phenyl)methanone
Smiles: O=C([C@H]1N2N=Cc3c(C2[C@H]([C@@H]1c1ccc(cc1)N(C)C)[N+](=O)[O-])cccc3)c1ccccc1

STK541892
Synonyms: 8-[(dimethylamino)methyl]-7-hydroxy-3-(naphthalen-2-yloxy)-2-(trifluoromethyl)-4H-chromen-4-one
Smiles: CN(Cc1c(O)ccc2c1oc(c(c2=O)Oc1ccc2c(c1)cccc2)C(F)(F)F)C

STK541893
Synonyms: N-(2-methylpropyl)-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine
Smiles: CC(CNc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1)C

STK541894
Synonyms: 2,2'-(11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine-3,7-diyldisulfanediyl)bis[N-(pyridin-2-yl)acetamide]
Smiles: O=C(Nc1ccccn1)CSc1nnc2n1c1sc3c(c1c1n2c(SCC(=O)Nc2ccccn2)nn1)CCC3

STK541895
Synonyms: N-benzyl-2-(6-bromo-2-methyl-4-oxoquinolin-1(4H)-yl)acetamide
Smiles: O=C(Cn1c(C)cc(=O)c2c1ccc(c2)Br)NCc1ccccc1

STK541897
Synonyms: [(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]aceticacid
Smiles: Cc1nnc(n1N)SCC(=O)O

STK541899
Synonyms: 2-[(4-methoxybenzyl)sulfanyl]-6,6-dimethyl-3-(2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: COc1ccc(cc1)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(OC3)(C)C

STK541900
Synonyms: 4-[3-(4-chlorophenyl)-1-(6-chloro-4-phenylquinazolin-2-yl)-4,5-dihydro-1H-pyrazol-5-yl]-N,N-dimethylaniline
Smiles: Clc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)N(C)C)c1nc2ccc(cc2c(n1)c1ccccc1)Cl

STK541901
Synonyms: (3E)-4-[(2-{[2,3,5,6-tetrafluoro-4-(hydroxymethyl)phenyl]amino}ethyl)amino]pent-3-en-2-one
Smiles: OCc1c(F)c(F)c(c(c1F)F)NCCN/C(=C/C(=O)C)/C

STK541902
Synonyms: 2-[4-(2-chlorobenzyl)piperazin-1-yl]-N'-[(E)-thiophen-2-ylmethylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccccc1Cl)N/N=C/c1cccs1

STK541903
Synonyms: 3,7-bis[(2-nitrophenyl)carbonyl]-1,5-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-one
Smiles: CC(C12CN(CC(C2=O)(CN(C1)C(=O)c1ccccc1[N+](=O)[O-])C(C)C)C(=O)c1ccccc1[N+](=O)[O-])C

STK541904
Synonyms: 3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-iodoquinazolin-4(3H)-one
Smiles: Brc1ccc(cc1)C(=O)CSc1nc2ccc(cc2c(=O)n1Cc1ccccc1)I

STK541905
Synonyms: 2-(benzylsulfanyl)-6-iodo-3-(2-methylphenyl)quinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)SCc1ccccc1)c1ccccc1C

STK541906
Synonyms: (2E)-3-(7-chloro-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)-1-(thiophen-2-yl)prop-2-en-1-one
Smiles: Clc1nc2cc3OCCOc3cc2cc1/C=C/C(=O)c1cccs1

STK541907
Synonyms: 6-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy}pyridazin-3-ol
Smiles: Oc1ccc(nn1)Oc1nc(nc(n1)N(C)C)N(C)C

STK541908
Synonyms: 2-{[6,6-dimethyl-4-oxo-3-(2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide
Smiles: CC(NC(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(OC3)(C)C)CCc1ccccc1

STK541909
Synonyms: 4-[5-(2-chloro-6-methylquinolin-3-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoicacid
Smiles: COc1cc(ccc1OC)C1=NN(C(C1)c1cc2cc(C)ccc2nc1Cl)C(=O)CCC(=O)O

STK541911
Synonyms: N-(3,4-dichlorophenyl)-2-[(4-methyl-2-oxo-2H-chromen-6-yl)oxy]acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)Cl)COc1ccc2c(c1)c(C)cc(=O)o2

STK541913
Synonyms: 2-[3-(azepan-1-yl)quinoxalin-2-yl]-N-benzyl-2-cyanoacetamide
Smiles: N#CC(c1nc2ccccc2nc1N1CCCCCC1)C(=O)NCc1ccccc1

STK541915
Synonyms: N-(3-methoxyphenyl)-2-{[3-(3-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCCC3

STK541920
Synonyms: N-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbamothioyl]furan-2-carboxamide
Smiles: S=C(Nc1cc(=O)n(c(=O)n1C)C)NC(=O)c1ccco1

STK541922
Synonyms: (6aS,6bR,9aS,10R)-10-(1H-benzotriazol-1-ylcarbonyl)-8-(naphthalen-2-yl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: O=C1N(c2ccc3c(c2)cccc3)C(=O)[C@H]2[C@@H]1[C@@H]1C=Cc3c(N1[C@H]2C(=O)n1nnc2c1cccc2)cccc3

STK541925
Synonyms: 3-(2,6-dichlorophenyl)-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1c1c(Cl)cccc1Cl

STK541926
Synonyms: (2Z)-2-cyano-N-(4-fluorophenyl)-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)Nc1ccc(cc1)F

STK541928
Synonyms: (3aR,6aS)-3-(4-bromophenyl)-5-(2-fluorophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Brc1ccc(cc1)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1F

STK541930
Synonyms: 3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCN(CC2)c2ccccc2OC)/C1=O

STK541931
Synonyms: 5-(4-chlorophenyl)-4-{4-[(2-methylnaphthalen-1-yl)methyl]piperazin-1-yl}thieno[2,3-d]pyrimidine
Smiles: Clc1ccc(cc1)c1csc2c1c(ncn2)N1CCN(CC1)Cc1c(C)ccc2c1cccc2

STK541932
Synonyms: diphenylmethyl(1'R,2'S,3R)-2'-[(4-methoxyphenyl)carbonyl]-2-oxo-1,1',2,2'-tetrahydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinoline]-1'-carboxylate
Smiles: COc1ccc(cc1)C(=O)[C@@H]1[C@H](C(=O)OC(c2ccccc2)c2ccccc2)N2C([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1

STK541933
Synonyms: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-9-methyl-3-{(Z)-[4-oxo-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: COc1ccccc1N1CCN(CC1)c1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C(C)C

STK541934
Synonyms: 2-{[5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1H-indol-3-ylmethylidene]acetohydrazide
Smiles: COc1cc(ccc1OC)c1nnc(n1CC)SCC(=O)N/N=C/c1c[nH]c2c1cccc2

STK541935
Synonyms: bis[5-methyl-2-(propan-2-yl)cyclohexyl]{(4-methoxyphenyl)[(1-phenylethyl)amino]methyl}phosphonate
Smiles: COc1ccc(cc1)C(P(=O)(OC1CC(C)CCC1C(C)C)OC1CC(C)CCC1C(C)C)NC(c1ccccc1)C

STK541936
Synonyms: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2-phenylethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: Brc1ccc(cc1)C(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3

STK541937
Synonyms: (2E,6E)-2,6-bis(1H-indol-3-ylmethylidene)-4-methylcyclohexanone
Smiles: CC1C/C(=C\c2c[nH]c3c2cccc3)/C(=O)/C(=C/c2c[nH]c3c2cccc3)/C1

STK541938
Synonyms: 5-(furan-2-yl)-8-methoxy-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: COc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccco1

STK541939
Synonyms: diphenylmethyl(1'R,2'S,3R)-2-oxo-1'-(phenylcarbonyl)-1,1',2,2'-tetrahydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinoline]-2'-carboxylate
Smiles: O=C([C@@H]1N2c3ccccc3C=CC2[C@]2([C@@H]1C(=O)OC(c1ccccc1)c1ccccc1)C(=O)Nc1c2cccc1)c1ccccc1

STK541940
Synonyms: (4aR,8aS)-1,4-bis[(4-methylbenzyl)oxy]octahydroquinoxaline-2,3-dione
Smiles: O=C1N(OCc2ccc(cc2)C)[C@@H]2CCCC[C@@H]2N(C1=O)OCc1ccc(cc1)C

STK541941
Synonyms: 2-[4-(2-chlorobenzyl)piperazin-1-yl]-N'-[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]acetohydrazide
Smiles: CCOc1ccc(cc1OC)/C=N/NC(=O)CN1CCN(CC1)Cc1ccccc1Cl

STK541943
Synonyms: 10-methyl-8-phenyl-N-[3-(trifluoromethyl)phenyl]-11-(3,4,5-trimethoxyphenyl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1c(OC)cc(cc1OC)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1cccc(c1)C(F)(F)F)c1ccccc1

STK541944
Synonyms: 1-amino-N-(4-bromophenyl)-8,8-dimethyl-5-(morpholin-4-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
Smiles: Brc1ccc(cc1)NC(=O)c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCOCC1

STK541945
Synonyms: 3-(hexylsulfanyl)-11-(2-methylpropyl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Smiles: CCCCCCSc1nnc2n1cnc1c2sc2c1c1CCCCc1c(n2)CC(C)C

STK541946
Synonyms: (1'R,2'S,3R)-1'-acetyl-7'-chloro-2'-[(4-fluorophenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: Fc1ccc(cc1)C(=O)[C@@H]1[C@H](C(=O)C)N2C([C@]31C(=O)Nc1c3cccc1)C=Cc1c2ccc(c1)Cl

STK541949
Synonyms: N-(1,3-benzodioxol-5-yl)-11-(4-chlorophenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Clc1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc2c(c1)OCO2)c1ccccc1

STK541950
Synonyms: 3-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
Smiles: N#CC12C(=N)OC(OC1C1=CCC3CC1C3(C)C)(C(C2(C#N)C#N)C)C

STK541951
Synonyms: 5-[3-(3,4-dimethoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoicacid
Smiles: COc1ccc(cc1OC)C1=NN(C(C1)c1ccccc1)C(=O)CCCC(=O)O

STK541952
Synonyms: N-(4-ethylphenyl)-10-methyl-11-(3-nitrophenyl)-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2cccc(c2)[N+](=O)[O-])c(nn1c1ccccc1)C

STK541953
Synonyms: 5-methyl-2-(propan-2-yl)cyclohexyl[(3,4-dimethoxyphenyl)(hydroxy)methyl][4-(dimethylamino)phenyl]phosphinate
Smiles: COc1ccc(cc1OC)C(P(=O)(c1ccc(cc1)N(C)C)OC1CC(C)CCC1C(C)C)O

STK541954
Synonyms: dipropan-2-yl[(benzylamino)(2-fluorophenyl)methyl]phosphonate
Smiles: CC(OP(=O)(C(c1ccccc1F)NCc1ccccc1)OC(C)C)C

STK541955
Synonyms: 10-phenyl-3-{[4-(propan-2-yloxy)benzyl]sulfanyl}-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CC(Oc1ccc(cc1)CSc1nnc2n1cnc1c2sc2c1c1CCCc1c(n2)c1ccccc1)C

STK541956
Synonyms: N'-[(1Z)-1-(4-bromophenyl)ethylidene]-2-[4-(4-methylbenzyl)piperazin-1-yl]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)C)N/N=C(\c1ccc(cc1)Br)/C

STK541957
Synonyms: 2-{[7-benzyl-3-(3-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CCN(C3)Cc1ccccc1

STK541958
Synonyms: methyl5-chloro-3-{[2-(2,6-dimethylmorpholin-4-yl)propanoyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(N1CC(C)OC(C1)C)C)cc(cc2)Cl

STK541960
Synonyms: 2-(4-methoxy-3-nitrophenyl)imidazo[1,2-a]pyridine
Smiles: COc1ccc(cc1[N+](=O)[O-])c1nc2n(c1)cccc2

STK541962
Synonyms: 2-{[2-(2-hydroxyethoxy)ethyl]amino}-9-methyl-3-[(Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCCCCN1C(=S)S/C(=C\c2c(NCCOCCO)nc3n(c2=O)cccc3C)/C1=O

STK541967
Synonyms: methyl(1-{9-methyl-4-oxo-3-[(Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-2-yl}-3-oxopiperazin-2-yl)acetate
Smiles: CCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCNC(=O)C2CC(=O)OC)/C1=O

STK541968
Synonyms: 2-(butylsulfanyl)-8-ethyl-8-methyl-3-(4-methylphenyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Smiles: CCCCSc1nc2nc3CC(C)(CC)OCc3cc2c(=O)n1c1ccc(cc1)C

STK541969
Synonyms: 1-(furan-2-ylmethyl)-4-hydroxy-N-(3-methoxyphenyl)-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Smiles: COc1cccc(c1)NC(=O)c1c(O)c2CCCCc2n(c1=O)Cc1ccco1

STK541970
Synonyms: 10,10-dimethyl-2-[(2-methylphenoxy)methyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1ccccc1OCc1nn2c(n1)c1c(nc2)sc2c1CC(C)(C)OC2

STK541971
Synonyms: 2'-(4-methylphenyl)-1-(propan-2-yl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: Cc1ccc(cc1)C1=NN2C(C1)c1ccccc1OC12CCN(CC1)C(C)C

STK541973
Synonyms: 5-nitro-4,6-di(piperidin-1-yl)pyrimidine
Smiles: [O-][N+](=O)c1c(ncnc1N1CCCCC1)N1CCCCC1

STK541974
Synonyms: (3aS,6aS)-3-(4-bromophenyl)-5-(4-fluorophenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Smiles: Fc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C(=NN2c1ccccc1)c1ccc(cc1)Br

STK541975
Synonyms: 7-(4-fluorophenyl)-9-phenyl-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazoline
Smiles: Fc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1ccccc1)c1c(CC2)cccc1

STK541976
Synonyms: 4,5-dimethyl-2-{[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]amino}thiophene-3-carbonitrile
Smiles: N#Cc1c(Nc2nc3ccccc3nc2N2CCN(CC2)C)sc(c1C)C

STK541977
Synonyms: (3aS,6aS)-5-(naphthalen-1-yl)-3-(4-nitrophenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Smiles: O=C1[C@@H]2C(=NN([C@@H]2C(=O)N1c1cccc2c1cccc2)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STK541978
Synonyms: N-(4-{[11-(3-bromophenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-yl]amino}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2cccc(c2)Br)c(nn1c1ccccc1)C

STK541980
Synonyms: methylN-{[3-(pentafluorophenoxy)phenyl]carbamoyl}-L-tryptophanate
Smiles: COC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)Nc1cccc(c1)Oc1c(F)c(F)c(c(c1F)F)F

STK541981
Synonyms: (3aR,6aS)-5-(3,5-dichlorophenyl)-3-(4-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: O=C1[C@H]2[C@@H](C(=O)N1c1cc(Cl)cc(c1)Cl)ON=C2c1ccc(cc1)[N+](=O)[O-]

STK541982
Synonyms: 1-(4-propoxyphenyl)-3-(propylamino)pyrrolidine-2,5-dione
Smiles: CCCNC1CC(=O)N(C1=O)c1ccc(cc1)OCCC

STK541983
Synonyms: (3aR,6aS)-3-(4-bromophenyl)-5-phenyl-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Brc1ccc(cc1)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1

STK541987
Synonyms: (3aR,6aS)-3-(4-bromophenyl)-5-(2-chlorophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Brc1ccc(cc1)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1Cl

STK541989
Synonyms: 1-methyl-4-(2-phenylethyl)-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: CC(C1OCc2c(C1)c1c(=O)n(CCc3ccccc3)c3n(c1s2)c(C)nn3)C

STK541990
Synonyms: 11-(4-chlorophenyl)-10-methyl-6-(morpholin-4-yl)-8-(4-nitrophenyl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxaline
Smiles: Clc1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2N1CCOCC1)c1ccc(cc1)[N+](=O)[O-]

STK541991
Synonyms: 6-(2-cycloheptylidenehydrazinyl)[1,2,4]triazolo[4,3-b]pyridazine
Smiles: C1CCCC(=NNc2ccc3n(n2)cnn3)CC1

STK541992
Synonyms: tert-butyl(8S,8aR)-6-amino-5,7,7-tricyano-8-(3-methoxy-4-propoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: CCCOc1ccc(cc1OC)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OC(C)(C)C

STK541993
Synonyms: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-iodo-3-(2-methylphenyl)quinazolin-4(3H)-one
Smiles: Brc1ccc(cc1)C(=O)CSc1nc2ccc(cc2c(=O)n1c1ccccc1C)I

STK541994
Synonyms: 3-(dipentylamino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
Smiles: CCCCCN(C1CC(=O)N(C1=O)c1ccc(cc1)CC)CCCCC

STK541995
Synonyms: 2,5-dichloro-N-[3-(phenylamino)quinoxalin-2-yl]benzenesulfonamide
Smiles: Clc1ccc(c(c1)S(=O)(=O)Nc1nc2ccccc2nc1Nc1ccccc1)Cl

STK541996
Synonyms: N,N-dibutyl-2-{[6,6-dimethyl-3-(3-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: CCCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(OC3)(C)C)CCCC

STK541997
Synonyms: 1-benzyl-9'-bromo-2'-(5-bromothiophen-2-yl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCN(CC1)Cc1ccccc1)c1ccc(s1)Br

STK541998
Synonyms: 2-(piperidin-1-yl)ethyl3-methyl-1-benzofuran-2-carboxylate
Smiles: O=C(c1oc2c(c1C)cccc2)OCCN1CCCCC1

STK542000
Synonyms: 5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylicacid
Smiles: OC(=O)c1cnn2c1nc(cc2C(F)(F)F)c1ccco1

STK542001
Synonyms: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2-phenylethyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Brc1ccc(cc1)C(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(OC3)C(C)C

STK542002
Synonyms: N-[4-(benzyloxy)phenyl]-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
Smiles: OCCN1CCN(CC1)CCC(=O)Nc1ccc(cc1)OCc1ccccc1

STK542003
Synonyms: 2-[(E)-(naphthalen-1-ylimino)methyl]-1-benzothiophene-3-ol
Smiles: Oc1c(/C=N/c2cccc3c2cccc3)sc2c1cccc2

STK542004
Synonyms: 2,5-dimethyl-N'-[(E)-(2,4,5-trimethoxyphenyl)methylidene]furan-3-carbohydrazide
Smiles: COc1cc(OC)c(cc1/C=N/NC(=O)c1cc(oc1C)C)OC

STK542005
Synonyms: N-{1-benzyl-3-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]quinoxalin-2-yl}benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)c1c(NS(=O)(=O)c2ccccc2)n(c2c1nc1ccccc1n2)Cc1ccccc1

STK542006
Synonyms: 2-{[2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}-N-(pyridin-2-yl)acetamide
Smiles: O=C(Nc1ccccn1)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK542007
Synonyms: pentyl{[5-(propan-2-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}acetate
Smiles: CCCCCOC(=O)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)C(C)C

STK542008
Synonyms: N-(3,5-dichlorophenyl)-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(Nc1cc(Cl)cc(c1)Cl)nc1c2cccc1

STK542009
Synonyms: methyl(1S,2R,3R)-1-cyano-2-phenyl-3-(phenylcarbonyl)-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@@H](c2ccccc2)[C@@H](N2C1c1ccccc1C=C2)C(=O)c1ccccc1

STK542011
Synonyms: (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methylN-[(benzyloxy)carbonyl]isoleucinate
Smiles: CCC(C(C(=O)OCN1C(=O)c2c(C1=O)cccc2)NC(=O)OCc1ccccc1)C

STK542012
Synonyms: 2-cyano-2-[3-(morpholin-4-yl)quinoxalin-2-yl]-N-pentylacetamide
Smiles: CCCCCNC(=O)C(c1nc2ccccc2nc1N1CCOCC1)C#N

STK542013
Synonyms: diphenylmethyl(6aR,6bS,9aR,10S)-8-(4-fluorophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxylate
Smiles: Fc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)OC(c1ccccc1)c1ccccc1

STK542014
Synonyms: 2-[(4-amino-6,6-dimethyl-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(SC1)(C)C

STK542015
Synonyms: N-(2-methoxyphenyl)-2-[(4-oxo-3-phenyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetamide
Smiles: COc1ccccc1NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCCC3

STK542016
Synonyms: 11-(4-fluorophenyl)-N-(4-methoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)F)c(nn1c1ccccc1)C

STK542018
Synonyms: N-(4-butylphenyl)-10-methyl-8-phenyl-11-(thiophen-2-yl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCCCc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2cccs2)c(nn1c1ccccc1)C

STK542019
Synonyms: 2-{[6,6-dimethyl-4-oxo-3-(2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-phenylpropanamide
Smiles: CC(C(=O)Nc1ccccc1)Sc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(OC3)(C)C

STK542022
Synonyms: N-(3-methoxyphenyl)-2-[(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nnc2n1c(C)nc1c2c2CC(C)(C)OCc2s1

STK542023
Synonyms: N-[(1-benzyl-1H-benzimidazol-2-yl)methyl]-2-methylbenzamide
Smiles: O=C(c1ccccc1C)NCc1nc2c(n1Cc1ccccc1)cccc2

STK542025
Synonyms: 2-benzyl-3-(2,5-dibromophenyl)quinazolin-4(3H)-one
Smiles: Brc1ccc(c(c1)n1c(Cc2ccccc2)nc2c(c1=O)cccc2)Br

STK542026
Synonyms: N-(4-bromophenyl)-2-{[4-oxo-3-(2-phenylethyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3

STK542027
Synonyms: methyl3,3,3-trifluoro-N-(furan-2-ylcarbonyl)-2-[2-(4-nitrophenyl)hydrazinyl]alaninate
Smiles: COC(=O)C(C(F)(F)F)(NC(=O)c1ccco1)NNc1ccc(cc1)[N+](=O)[O-]

STK542028
Synonyms: N-(4-bromophenyl)-2-{[5-(propan-2-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)C(C)C

STK542029
Synonyms: (3aR,6aS)-3-(4-bromophenyl)-5-[3-(trifluoromethyl)phenyl]-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Brc1ccc(cc1)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)C(F)(F)F

STK542030
Synonyms: (2-fluorophenyl)[5-(furan-2-yl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
Smiles: Cc1ccc(cc1)C1=NN(C(C1)c1ccco1)C(=O)c1ccccc1F

STK542031
Synonyms: 2-(4-benzylpiperazin-1-yl)-N'-[(E)-(2-methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1ccccc1/C=N/NC(=O)CN1CCN(CC1)Cc1ccccc1

STK542032
Synonyms: (2E)-N-{1-[1-(2,6-dichlorobenzyl)-1H-benzimidazol-2-yl]ethyl}-3-phenylprop-2-enamide
Smiles: O=C(NC(c1nc2c(n1Cc1c(Cl)cccc1Cl)cccc2)C)/C=C/c1ccccc1

STK542033
Synonyms: 4-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-5-(4-methylphenyl)-N-phenylthiophene-2-carboxamide
Smiles: O=C(Cc1cc(sc1c1ccc(cc1)C)C(=O)Nc1ccccc1)Nc1ccc(cc1)Cl

STK542034
Synonyms: N-phenyl-2-[(3,6,6-trimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccccc1)CSc1nc2sc3c(c2c(=O)n1C)CC(OC3)(C)C

STK542035
Synonyms: (9E)-9-(4-bromobenzylidene)-5-(4-bromophenyl)-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline
Smiles: Brc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1ccc(cc1)C)/C(=C/c1ccc(cc1)Br)/CCC2

STK542037
Synonyms: (4E)-4-(1-hydroxyethylidene)-1-(3-hydroxypropyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Smiles: OCCCN1C(=O)C(=O)/C(=C(/O)\C)/C1c1ccc(cc1)[N+](=O)[O-]

STK542038
Synonyms: 2-amino-N-cyclopropyl-1-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: CCOc1ccc(cc1)n1c2nc3ccccc3nc2c(c1N)C(=O)NC1CC1

STK542039
Synonyms: N-(2-methoxyphenyl)-2-{[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: COc1ccccc1NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCCC3

STK542041
Synonyms: N-(3,5-dichlorophenyl)-11-(2-fluorophenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Clc1cc(cc(c1)Cl)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccccc1F)C)c1ccccc1

STK542042
Synonyms: ethyl7-nitro-2-oxo-2H-chromene-3-carboxylate
Smiles: CCOC(=O)c1cc2ccc(cc2oc1=O)[N+](=O)[O-]

STK542043
Synonyms: 2-[(2-benzyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N-methyl-N-phenylacetamide
Smiles: CN(c1ccccc1)C(=O)CSc1nc(Cc2ccccc2)nc2c1c1CC(C)(C)OCc1s2

STK542044
Synonyms: 2'-(2,5-dimethylphenyl)-7'-methoxy-1-methyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCN(CC1)C)N1C2CC(=N1)c1cc(C)ccc1C

STK542045
Synonyms: methyl5-bromo-3-[(cyclohexylcarbamoyl)amino]-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)NC1CCCCC1)cc(cc2)Br

STK542046
Synonyms: 1-(benzyloxy)-3-(naphthalen-1-yl)quinoxalin-2(1H)-one4-oxide
Smiles: [O-][n+]1c(c2cccc3c2cccc3)c(=O)n(c2c1cccc2)OCc1ccccc1

STK542047
Synonyms: 4-chloro-N-{3-[(3,4,5-trimethoxyphenyl)amino]quinoxalin-2-yl}benzenesulfonamide
Smiles: COc1c(OC)cc(cc1OC)Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(cc1)Cl

STK542048
Synonyms: 2,5-dichloro-N-{3-[(3,4-dichlorophenyl)amino]quinoxalin-2-yl}benzenesulfonamide
Smiles: Clc1ccc(c(c1)S(=O)(=O)Nc1nc2ccccc2nc1Nc1ccc(c(c1)Cl)Cl)Cl

STK542050
Synonyms: N-(2,5-dimethoxyphenyl)-10-methyl-8-phenyl-11-(thiophen-2-yl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1ccc(c(c1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1cccs1)C)c1ccccc1)OC

STK542051
Synonyms: (8E)-2-amino-8-(4-fluorobenzylidene)-4-(4-fluorophenyl)-6-propyl-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Smiles: CCCN1C/C(=C\c2ccc(cc2)F)/C2=C(C1)C(c1ccc(cc1)F)C(=C(O2)N)C#N

STK542052
Synonyms: 3-(3,4-dichlorophenyl)-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
Smiles: Fc1ccc(cc1)C(=O)CSc1nc2sc(c(c2c(=O)n1c1ccc(c(c1)Cl)Cl)C)C

STK542053
Synonyms: 9-methyl-3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(thiomorpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CC(CN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCSCC2)/C1=O)C

STK542054
Synonyms: ethyl5-chloro-3-[(cyclohexylcarbamothioyl)amino]-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=S)NC1CCCCC1)cc(cc2)Cl

STK542055
Synonyms: methyl(1R,2R,3S)-2-(4-bromophenyl)-3-cyano-1-(phenylcarbamoyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@@H](c2ccc(cc2)Br)[C@@H](N2C1C=Cc1c2cccc1)C(=O)Nc1ccccc1

STK542058
Synonyms: ethyl5-methoxy-3-[(morpholin-4-ylcarbonyl)amino]-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)N1CCOCC1)cc(cc2)OC

STK542060
Synonyms: N-{[2-(4-sulfamoylphenyl)ethyl]carbamothioyl}furan-2-carboxamide
Smiles: S=C(NC(=O)c1ccco1)NCCc1ccc(cc1)S(=O)(=O)N

STK542061
Synonyms: 3-ethyl-6-iodo-2-[(2-phenylethyl)sulfanyl]quinazolin-4(3H)-one
Smiles: CCn1c(SCCc2ccccc2)nc2c(c1=O)cc(cc2)I

STK542063
Synonyms: [(benzylamino)(phenyl)methyl](hydroxymethyl)phosphinicacid
Smiles: OCP(=O)(C(c1ccccc1)NCc1ccccc1)O

STK542066
Synonyms: 7-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: c1ccc(cc1)c1nc2sc3c(c2c2c1CCC2)ncnc3SCc1ccc2c(c1)OCO2

STK542067
Synonyms: N-(1,3-benzodioxol-5-yl)-10-methyl-8-phenyl-11-(thiophen-2-yl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Cc1nn(c2c1C(c1cccs1)n1c(=N2)c(Nc2ccc3c(c2)OCO3)nc2c1cccc2)c1ccccc1

STK542068
Synonyms: 2-ethyl-3-methyl-1-[4-(4-methylpyridin-2-yl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1N1CCN(CC1)c1nccc(c1)C)c1ccccc1n2

STK542069
Synonyms: N'-{(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2-[4-(2-chlorobenzyl)piperazin-1-yl]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CN2CCN(CC2)Cc2ccccc2Cl)ccc1OCc1ccccc1

STK542072
Synonyms: 7-[(2-methylprop-2-en-1-yl)sulfanyl]-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CC(=C)CSc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK542075
Synonyms: methyl3-{[(2-methoxyphenyl)carbamoyl]amino}-5-methyl-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)Nc1ccccc1OC)cc(cc2)C

STK542076
Synonyms: N-[(1E)-3-(benzylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-[(phenylcarbonyl)amino]benzamide
Smiles: O=C(c1ccc(cc1)NC(=O)c1ccccc1)N/C(=C/c1ccccc1)/C(=O)NCc1ccccc1

STK542077
Synonyms: 2-{3-[(3aS,6aS)-5-(3-chlorophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazol-3-yl]-3-oxopropyl}-1H-isoindole-1,3(2H)-dione
Smiles: Clc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)NN=C2C(=O)CCN1C(=O)c2c(C1=O)cccc2

STK542079
Synonyms: (3aS,6aS)-5-(3-fluorophenyl)-3-(4-methoxyphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Smiles: COc1ccc(cc1)C1=NN([C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)F)c1ccccc1

STK542082
Synonyms: methyl(2Z)-{(2Z)-4-oxo-2-[(2E)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-ylidene}ethanoate
Smiles: COC(=O)/C=C/1\S/C(=N\N=C/2\C(=O)Nc3c2cccc3)/NC1=O

STK542083
Synonyms: 2-hydrazinyl-3-(2-phenylethyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: NNc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(OC3)C(C)C

STK542084
Synonyms: dipropan-2-yl[(3-nitrophenyl)(phenylamino)methyl]phosphonate
Smiles: CC(OP(=O)(C(c1cccc(c1)[N+](=O)[O-])Nc1ccccc1)OC(C)C)C

STK542085
Synonyms: (3aR,4S,9aR,9bS)-4-[(4-bromophenyl)carbonyl]-2-(2-methyl-4-nitrophenyl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione
Smiles: Brc1ccc(cc1)C(=O)[C@H]1N2C=CC(=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1C)[N+](=O)[O-])C(=O)c1ccccc1

STK542086
Synonyms: 2-{4-[(4-bromophenyl)sulfonyl]piperazin-1-yl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br)N/N=C/c1ccc(cc1)[N+](=O)[O-]

STK542088
Synonyms: 11-benzyl-3-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: O=c1n(CCc2ccccc2)cnc2c1c1nc3ccccc3nc1n2Cc1ccccc1

STK542089
Synonyms: 8-benzyl-7-(4-chlorophenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Clc1ccc(cc1)c1cn2c(n1Cc1ccccc1)nc1c2c(=O)n(C)c(=O)n1C

STK542090
Synonyms: (2E,5Z)-2-{[5-(3-nitrobenzyl)-1,3-thiazol-2-yl]imino}-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-3-phenyl-1,3-thiazolidin-4-one
Smiles: O=C1/C(=C/c2ccc(o2)c2ccc(cc2)[N+](=O)[O-])/S/C(=N/c2ncc(s2)Cc2cccc(c2)[N+](=O)[O-])/N1c1ccccc1

STK542091
Synonyms: ethyl3-[(cyclohexylcarbamothioyl)amino]-5-methoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=S)NC1CCCCC1)cc(cc2)OC

STK542092
Synonyms: 4-methyl-N-{3-[(4-methylphenyl)sulfonyl]-1-(2-phenylethyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl}benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)Nc1n(CCc2ccccc2)c2c(c1S(=O)(=O)c1ccc(cc1)C)nc1c(n2)cccc1

STK542093
Synonyms: N-ethyl-2-(pyrazin-2-ylcarbonyl)hydrazinecarbothioamide
Smiles: CCNC(=S)NNC(=O)c1cnccn1

STK542094
Synonyms: bis[5-methyl-2-(propan-2-yl)cyclohexyl][(2,4-dichlorophenyl)(hydroxy)methyl]phosphonate
Smiles: CC1CCC(C(C1)OP(=O)(C(c1ccc(cc1Cl)Cl)O)OC1CC(C)CCC1C(C)C)C(C)C

STK542095
Synonyms: N'-[(E)-(3-bromophenyl)methylidene]-2-{[5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: COc1cc(ccc1OC)c1nnc(n1CC)SCC(=O)N/N=C/c1cccc(c1)Br

STK542096
Synonyms: 2-[4-(2-chlorobenzyl)piperazin-1-yl]-N'-[(E)-(2,4-dimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(OC)ccc1/C=N/NC(=O)CN1CCN(CC1)Cc1ccccc1Cl

STK542097
Synonyms: ethyl4-{[({5-[5-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)pentyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(o1)CCCCCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK542099
Synonyms: N-benzyl-2-{[3-(3-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)n1c(SCC(=O)NCc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK542100
Synonyms: (6aR,6bS,9aR,10S)-10-[(4-chlorophenyl)carbonyl]-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-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]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1c1ccccc1C=C2)c1ccc2c(c1)OCCO2

STK542101
Synonyms: 6-methyl-5-[4-(2-methylpropoxy)benzyl]-2-sulfanylpyrimidin-4-ol
Smiles: CC(COc1ccc(cc1)Cc1c(C)nc(nc1O)S)C

STK542103
Synonyms: 2-{4-[(4-bromophenyl)sulfonyl]piperazin-1-yl}-N'-[(E)-(5-methylthiophen-2-yl)methylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br)N/N=C/c1ccc(s1)C

STK542104
Synonyms: N-{3-[(4-methylphenyl)sulfonyl]-1-(prop-2-en-1-yl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl}-4-nitrobenzenesulfonamide
Smiles: C=CCn1c2nc3ccccc3nc2c(c1NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])S(=O)(=O)c1ccc(cc1)C

STK542105
Synonyms: 1-(3,4-dichlorophenyl)-2-{[(4-nitrophenyl)carbonyl]amino}-N-(prop-2-en-1-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: C=CCNC(=O)c1c(NC(=O)c2ccc(cc2)[N+](=O)[O-])n(c2c1nc1ccccc1n2)c1ccc(c(c1)Cl)Cl

STK542106
Synonyms: N-(3-methylphenyl)-2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCCC3

STK542107
Synonyms: (2E)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(naphthalen-1-yl)prop-2-enamide
Smiles: N#C/C(=C\c1ccc(o1)C1CC1C)/C(=O)Nc1cccc2c1cccc2

STK542108
Synonyms: N-{(1E)-3-[(furan-2-ylmethyl)amino]-3-oxo-1-phenylprop-1-en-2-yl}-4-[(phenylcarbonyl)amino]benzamide
Smiles: O=C(/C(=C\c1ccccc1)/NC(=O)c1ccc(cc1)NC(=O)c1ccccc1)NCc1ccco1

STK542109
Synonyms: (3aS,6aS)-5-(4-bromophenyl)-3-(4-nitrophenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Smiles: Brc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)N(N=C2c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK542112
Synonyms: 8,8-dimethyl-3-(4-methylphenyl)-2-(propylsulfanyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Smiles: CCCSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1ccc(cc1)C

STK542113
Synonyms: (3aR,6aS)-5-(naphthalen-2-yl)-3-(4-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: O=C1[C@H]2ON=C([C@H]2C(=O)N1c1ccc2c(c1)cccc2)c1ccc(cc1)[N+](=O)[O-]

STK542115
Synonyms: [(1S,2R,3S)-1-nitro-2-phenyl-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl](phenyl)methanone
Smiles: O=C([C@H]1N2N=Cc3c(C2[C@H]([C@@H]1c1ccccc1)[N+](=O)[O-])cccc3)c1ccccc1

STK542116
Synonyms: 8-ethyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-8-methyl-3-(4-methylphenyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Smiles: CCC1(C)OCc2c(C1)nc1c(c2)c(=O)n(c(n1)SCC(=O)c1ccc(cc1)F)c1ccc(cc1)C

STK542117
Synonyms: 2-[4-(4-chlorobenzyl)piperazin-1-yl]-N'-{(E)-[4-(methylsulfanyl)phenyl]methylidene}acetohydrazide
Smiles: CSc1ccc(cc1)/C=N/NC(=O)CN1CCN(CC1)Cc1ccc(cc1)Cl

STK542118
Synonyms: 6-iodo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)quinazolin-4(3H)-one
Smiles: C=CCn1c(SCC(=O)c2ccccc2)nc2c(c1=O)cc(cc2)I

STK542119
Synonyms: 8-fluoro-N-(2-methoxybenzyl)-5H-pyrimido[5,4-b]indol-4-amine
Smiles: COc1ccccc1CNc1ncnc2c1[nH]c1c2cc(cc1)F

STK542120
Synonyms: methyl2-[(8S,8aR,11aS,11bS)-9,11-dioxo-8-(phenylcarbonyl)-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-10(11H)-yl]benzoate
Smiles: COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccccc2)C=Cc2c1cccc2

STK542121
Synonyms: 1-phenyl-2-[(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]ethanone
Smiles: O=C(c1ccccc1)CSc1nnc2n1c(C)nc1c2c2CC(C)(C)OCc2s1

STK542122
Synonyms: 4-(2,3-dichlorophenyl)-2-(3-nitrophenyl)-5-phenyl-1H-imidazole
Smiles: Clc1c(Cl)cccc1c1nc([nH]c1c1ccccc1)c1cccc(c1)[N+](=O)[O-]

STK542123
Synonyms: 2-[4-(2-chlorobenzyl)piperazin-1-yl]-N'-[(E)-(4-ethoxyphenyl)methylidene]acetohydrazide
Smiles: CCOc1ccc(cc1)/C=N/NC(=O)CN1CCN(CC1)Cc1ccccc1Cl

STK542124
Synonyms: N-(3-bromophenyl)-4-hydroxy-1-(2-methylpropyl)-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Smiles: CC(Cn1c2CCCCc2c(c(c1=O)C(=O)Nc1cccc(c1)Br)O)C

STK542126
Synonyms: 7-{4-[(1,3-benzodioxol-5-ylcarbonyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1nc(N1CCN(CC1)C(=S)NC(=O)c1ccc3c(c1)OCO3)c(c2)F

STK542127
Synonyms: 2-{[3-cyano-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)C)NC2=C(C1c1cccc(c1Cl)Cl)C(=O)CCC2

STK542128
Synonyms: 2-{[2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK542129
Synonyms: 2-[4-(2-chlorobenzyl)piperazin-1-yl]-N'-[(1Z)-1-(naphthalen-2-yl)ethylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccccc1Cl)N/N=C(\c1ccc2c(c1)cccc2)/C

STK542130
Synonyms: 3-[(Z)-(3-cyclopentyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-{[2-(2-hydroxyethoxy)ethyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: OCCOCCNc1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C1CCCC1

STK542131
Synonyms: ethyl2-[(3-{[(4-chloro-3-nitrophenyl)sulfonyl]amino}quinoxalin-2-yl)amino]-4,5-dimethylthiophene-3-carboxylate
Smiles: CCOC(=O)c1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)sc(c1C)C

STK542133
Synonyms: 1-benzyl-6-chloro-4-(dimethylamino)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile
Smiles: N#Cc1c(Cl)nc(c2c1N(CC2)Cc1ccccc1)N(C)C

STK542134
Synonyms: 2-{[5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-ethoxyphenyl)methylidene]acetohydrazide
Smiles: CCOc1ccc(cc1)/C=N/NC(=O)CSc1nnc(n1CC)c1ccc(c(c1)OC)OC

STK542135
Synonyms: 1-(3,4-dimethylphenyl)-2-(4-nitrophenyl)-1H-imidazo[4,5-b]quinoxaline
Smiles: [O-][N+](=O)c1ccc(cc1)c1nc2c(n1c1ccc(c(c1)C)C)nc1c(n2)cccc1

STK542136
Synonyms: (8S,8aR,11aS,11bS)-10-(2-fluorophenyl)-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: O=C([C@H]1N2N=Cc3c([C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1F)cccc3)c1ccccc1

STK542137
Synonyms: (3aR,6aS)-3-(4-nitrophenyl)-5-[3-(trifluoromethyl)phenyl]-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: O=C1N(c2cccc(c2)C(F)(F)F)C(=O)[C@@H]2[C@H]1C(=NO2)c1ccc(cc1)[N+](=O)[O-]

STK542138
Synonyms: 4-fluoro-N-[(2Z,3E)-2-(1-hydroxyethylidene)-6,6-dimethylbicyclo[3.1.0]hex-3-ylidene]benzamide
Smiles: Fc1ccc(cc1)C(=O)/N=C/1\CC2C(\C1=C(\O)/C)C2(C)C

STK542139
Synonyms: N-(2-methoxyphenyl)-2-[(4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)sulfanyl]acetamide
Smiles: COc1ccccc1NC(=O)CSc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK542140
Synonyms: methyl4-[(carbamimidoylsulfanyl)methyl]-5-ethylfuran-2-carboxylate
Smiles: COC(=O)c1cc(c(o1)CC)CSC(=N)N

STK542141
Synonyms: methyl3-{[(4-chlorophenyl)carbamoyl]amino}-5-fluoro-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)Nc1ccc(cc1)Cl)cc(cc2)F

STK542142
Synonyms: 2,2-dimethyl-2'-(4-methylphenyl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: Cc1ccc(cc1)C1=NN2C(C1)c1ccccc1OC12CCOC(C1)(C)C

STK542143
Synonyms: 2-{[8,8-dimethyl-3-(3-methylphenyl)-4-oxo-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1cccc(c1)C

STK542145
Synonyms: (4E)-5-(2,3-dimethoxyphenyl)-4-[hydroxy(4-methoxyphenyl)methylidene]-1-[2-(morpholin-4-yl)ethyl]pyrrolidine-2,3-dione
Smiles: COc1c(OC)cccc1C1N(CCN2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OC)/O

STK542146
Synonyms: N,N-diphenyl-2-[(10-phenyl-8,9-dihydro-7H-cyclopenta[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(N(c1ccccc1)c1ccccc1)CSc1nnc2n1cnc1c2sc2c1c1CCCc1c(n2)c1ccccc1

STK542147
Synonyms: 2-benzyl-3-(4-bromophenyl)quinazolin-4(3H)-one
Smiles: Brc1ccc(cc1)n1c(Cc2ccccc2)nc2c(c1=O)cccc2

STK542148
Synonyms: 3-(2,5-dibromophenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinazolin-4(3H)-one
Smiles: Oc1ccc(cc1)/C=C/c1nc2ccccc2c(=O)n1c1cc(Br)ccc1Br

STK542149
Synonyms: 2-chloro-N-(4-methyl-3,6-dihydro-2H-pyran-3-yl)-N-(4-methylphenyl)acetamide
Smiles: ClCC(=O)N(C1COCC=C1C)c1ccc(cc1)C

STK542151
Synonyms: 2-[6-(morpholin-4-yl)-7-nitro-2,1,3-benzoxadiazol-4-yl]-1,2,3,4-tetrahydroisoquinoline
Smiles: [O-][N+](=O)c1c(cc(c2c1non2)N1CCc2c(C1)cccc2)N1CCOCC1

STK542154
Synonyms: 2-[(4-methoxybenzyl)sulfanyl]-3,6,6-trimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: COc1ccc(cc1)CSc1nc2sc3c(c2c(=O)n1C)CC(OC3)(C)C

STK542155
Synonyms: 3-{[(E)-(4-chlorophenyl)methylidene]amino}-2-[(2-methylphenoxy)methyl]quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)/C=N/n1c(COc2ccccc2C)nc2c(c1=O)cccc2

STK542158
Synonyms: methyldifluoro[(2-phenyl-1H-indol-3-yl)sulfanyl]acetate
Smiles: COC(=O)C(Sc1c([nH]c2c1cccc2)c1ccccc1)(F)F

STK542159
Synonyms: 5-(4-bromophenyl)-3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Smiles: N#Cc1c(sc2c1CCCC2)NC(=O)c1nn2c(c1Cl)nc(cc2C(F)(F)F)c1ccc(cc1)Br

STK542160
Synonyms: 2,2-dimethyl-5-(morpholin-4-yl)-N-(4-phenylbutan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-8-amine
Smiles: CC(Nc1nnnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1)CCc1ccccc1

STK542162
Synonyms: (1'R,2'S,3R)-2'-[(4-methoxyphenyl)carbonyl]-1'-[(3-nitrophenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1ccc(cc1)C(=O)[C@@H]1[C@H](C(=O)c2cccc(c2)[N+](=O)[O-])N2C([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1

STK542163
Synonyms: 2-[(4-amino-6,6-dimethyl-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
Smiles: O=C(NCc1ccco1)CSc1nc(N)c2c(n1)sc1c2CC(SC1)(C)C

STK542164
Synonyms: N-[2-(morpholin-4-yl)ethyl]-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine
Smiles: O1CCN(CC1)CCNc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK542165
Synonyms: N-(4-methoxyphenyl)-2-{[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1

STK542167
Synonyms: 3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-(propan-2-ylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CC(Nc1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccc2c(c1)OCO2)C

STK542168
Synonyms: 1-benzyl-N-cyclohexyl-2-{[(4-methylphenyl)sulfonyl]amino}-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: Cc1ccc(cc1)S(=O)(=O)Nc1c(C(=O)NC2CCCCC2)c2c(n1Cc1ccccc1)nc1c(n2)cccc1

STK542169
Synonyms: N-(3-methoxyphenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)OC)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK542170
Synonyms: 2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-dipropylacetamide
Smiles: CCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1CC=C)CCCC3)CCC

STK542171
Synonyms: 2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-(furan-2-yl)-2-methylprop-2-en-1-ylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C(C)(C)C)N/N=C/C(=C/c1ccco1)/C

STK542172
Synonyms: 2-{4-[(4-bromophenyl)sulfonyl]piperazin-1-yl}-N'-[(1E,2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br)N/N=C/C=C/c1ccccc1[N+](=O)[O-]

STK542174
Synonyms: ethylN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,3,3-trifluoro-2-(pentanoylamino)alaninate
Smiles: CCCCC(=O)NC(C(F)(F)F)(C(=O)OCC)Nc1sc2c(n1)c(C)c(cc2)Cl

STK542175
Synonyms: N-(4-methoxyphenyl)-2-{[3-(3-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)OC)CCCCC3

STK542176
Synonyms: N'-[(E)-1H-indol-3-ylmethylidene]-2-[4-(4-methylbenzyl)piperazin-1-yl]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)C)N/N=C/c1c[nH]c2c1cccc2

STK542177
Synonyms: N'-[(E)-(2-bromophenyl)methylidene]-2-[4-(4-methylbenzyl)piperazin-1-yl]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)C)N/N=C/c1ccccc1Br

STK542179
Synonyms: 11-(5-bromofuran-2-yl)-N-(4-butylphenyl)-10-methyl-8-phenyl-7a,8,10a,11-tetrahydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCCCc1ccc(cc1)Nc1nc2ccccc2n2c1=NC1N(N=C(C1C2c1ccc(o1)Br)C)c1ccccc1

STK542180
Synonyms: N-(2,4-dichlorophenyl)-2-{[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1Cl)Cl)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1

STK542181
Synonyms: 9-benzyl-2-(4-methoxyphenyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: COc1ccc(cc1)c1nn2c(n1)c1c(nc2)sc2c1CCN(C2)Cc1ccccc1

STK542183
Synonyms: 2-{[7,7-dimethyl-4-(3-methylphenyl)-5-oxo-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-phenylacetamide
Smiles: O=C(Nc1ccccc1)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CC(OC3)(C)C

STK542184
Synonyms: (3aR,6aS)-3,5-bis(4-bromophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Brc1ccc(cc1)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)Br

STK542185
Synonyms: ethyl(2E)-(diphenylphosphoryl)(2-phenylhydrazinylidene)ethanoate
Smiles: CCOC(=O)/C(=N\Nc1ccccc1)/P(=O)(c1ccccc1)c1ccccc1

STK542186
Synonyms: 1-[5-(furan-2-yl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-3-(piperidin-1-yl)propan-1-one
Smiles: Cc1ccc(cc1)C1=NN(C(C1)c1ccco1)C(=O)CCN1CCCCC1

STK542187
Synonyms: methylN-[(4-chlorophenyl)carbonyl]-3,3,3-trifluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]alaninate
Smiles: COC(=O)C(C(F)(F)F)(NC(=O)c1ccc(cc1)Cl)Nc1ncc(s1)C

STK542192
Synonyms: (8S,8aR,11aS)-10-(4-butoxyphenyl)-N-(4-chlorophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: CCCCOc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1C2c2ccccc2C=C1)C(=O)Nc1ccc(cc1)Cl

STK542194
Synonyms: N-(4-methylphenyl)-2-[(10-phenyl-8,9-dihydro-7H-cyclopenta[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)C)CSc1nnc2n1cnc1c2sc2c1c1CCCc1c(n2)c1ccccc1

STK542195
Synonyms: 2-amino-1-(2,5-dimethoxyphenyl)-N-pentyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: CCCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1cc(OC)ccc1OC

STK542196
Synonyms: ethyl(8R,8aR)-6-amino-5,7,7-tricyano-8-(thiophen-3-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: CCOC(=O)N1CC=C2[C@H](C1)[C@@H](c1ccsc1)C(C(=C2C#N)N)(C#N)C#N

STK542197
Synonyms: [4-(4-methylphenyl)piperazin-1-yl][5-(2-nitrophenyl)furan-2-yl]methanethione
Smiles: Cc1ccc(cc1)N1CCN(CC1)C(=S)c1ccc(o1)c1ccccc1[N+](=O)[O-]

STK542198
Synonyms: 2-{[6,6-dimethyl-4-oxo-3-(2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-methyl-N-phenylacetamide
Smiles: CN(c1ccccc1)C(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(OC3)(C)C

STK542201
Synonyms: 5-(2-fluorophenyl)-4-(naphthalen-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Fc1ccccc1c1n[nH]c(=S)n1c1cccc2c1cccc2

STK542202
Synonyms: 2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(2,5-dibromophenyl)quinazolin-4(3H)-one
Smiles: Brc1ccc(c(c1)/C=C/c1nc2ccccc2c(=O)n1c1cc(Br)ccc1Br)O

STK542203
Synonyms: methyl(1S,2S,3S)-1-acetyl-2-(4-bromophenyl)-3-cyano-7-methoxy-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@H](c2ccc(cc2)Br)[C@H](N2C1C=Cc1c2ccc(c1)OC)C(=O)C

STK542204
Synonyms: bis(2-methylpropyl)[(2,4-dimethoxyphenyl)(phenylamino)methyl]phosphonate
Smiles: COc1cc(OC)ccc1C(P(=O)(OCC(C)C)OCC(C)C)Nc1ccccc1

STK542205
Synonyms: (4E)-5-(3,4-dimethoxyphenyl)-4-[hydroxy(4-methoxyphenyl)methylidene]-1-[2-(morpholin-4-yl)ethyl]pyrrolidine-2,3-dione
Smiles: COc1cc(ccc1OC)C1N(CCN2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OC)/O

STK542207
Synonyms: 4-(4-bromophenyl)-2-(2,3-dichlorophenyl)-5-phenyl-1H-imidazole
Smiles: Brc1ccc(cc1)c1nc([nH]c1c1ccccc1)c1cccc(c1Cl)Cl

STK542209
Synonyms: 2-(butan-2-ylamino)-3-[(Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCC(Nc1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CCc1ccc(c(c1)OC)OC)C

STK542210
Synonyms: N-[1-benzyl-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl]-4-methylbenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)Nc1n(Cc2ccccc2)c2c(c1S(=O)(=O)c1ccccc1)nc1c(n2)cccc1

STK542211
Synonyms: ethyl(3-oxo-1-{4-oxo-3-[(Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-2-yl}piperazin-2-yl)acetate
Smiles: CCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCNC(=O)C2CC(=O)OCC)/C1=O

STK542212
Synonyms: 2-(furan-2-yl)-1-(4-methylphenyl)-1H-imidazo[4,5-b]quinoxaline
Smiles: Cc1ccc(cc1)n1c(nc2c1nc1ccccc1n2)c1ccco1

STK542213
Synonyms: (4E)-5-(4-bromophenyl)-4-(1-hydroxyethylidene)-1-phenylpyrrolidine-2,3-dione
Smiles: Brc1ccc(cc1)C1/C(=C(\O)/C)/C(=O)C(=O)N1c1ccccc1

STK542217
Synonyms: 2-(hexylsulfanyl)-3-(2-phenylethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCCCCCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3

STK542218
Synonyms: 2-[(E)-{[2-chloro-5-(trifluoromethyl)phenyl]imino}methyl]-1-benzothiophene-3-ol
Smiles: Clc1ccc(cc1/N=C/c1sc2c(c1O)cccc2)C(F)(F)F

STK542219
Synonyms: 2-[4-(4-methylbenzyl)piperazin-1-yl]-N'-[(1E)-1-(naphthalen-2-yl)ethylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)C)N/N=C(/c1ccc2c(c1)cccc2)\C

STK542220
Synonyms: 3-butyl-11-(4-methylphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: CCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(cc1)C

STK542221
Synonyms: 3-(2-methoxyphenyl)-2-[(E)-2-(3-methylphenyl)ethenyl]quinazolin-4(3H)-one
Smiles: COc1ccccc1n1c(/C=C/c2cccc(c2)C)nc2c(c1=O)cccc2

STK542223
Synonyms: N-(4-butylphenyl)-11-(2-fluorophenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCCCc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccccc1F)C)c1ccccc1

STK542224
Synonyms: N'-[(E)-(2,2-dichloro-1-phenylcyclopropyl)methylidene]-2-(naphthalen-1-yl)acetohydrazide
Smiles: O=C(Cc1cccc2c1cccc2)N/N=C/C1(CC1(Cl)Cl)c1ccccc1

STK542225
Synonyms: 3-benzyl-6-iodo-2-[(Z)-(1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]quinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C\1/c2ccccc2N(C1=O)C)Cc1ccccc1

STK542226
Synonyms: (4E)-5-(3-ethoxy-4-hydroxyphenyl)-4-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
Smiles: COCCCN1C(=O)C(=O)/C(=C(\c2ccc(c(c2)C)OC)/O)/C1c1ccc(c(c1)OCC)O

STK542227
Synonyms: methyl6-oxo-6H-anthra[9,1-bc]furan-2-carboxylate
Smiles: COC(=O)c1oc2c3c1cccc3C(=O)c1c2cccc1

STK542228
Synonyms: 2-(1,3-benzoxazol-2-ylsulfanyl)-N'-[(1E)-1-(3-nitrophenyl)ethylidene]acetohydrazide
Smiles: O=C(N/N=C(/c1cccc(c1)[N+](=O)[O-])\C)CSc1nc2c(o1)cccc2

STK542230
Synonyms: 4-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Smiles: COCc1cc(cc(c1OC)OC)C1SCC(=O)Nc2c1c(nn2c1ccccc1)c1ccccc1

STK542231
Synonyms: 1-amino-N,N-dibutyl-8,8-dimethyl-5-(morpholin-4-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
Smiles: CCCCN(C(=O)c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCOCC1)CCCC

STK542232
Synonyms: N-(4-bromophenyl)-11-(2-fluorophenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Brc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccccc1F)C)c1ccccc1

STK542233
Synonyms: N-(4-ethylphenyl)-11-(2-fluorophenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccccc2F)c(nn1c1ccccc1)C

STK542234
Synonyms: N-(4-bromophenyl)-2-{[2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK542235
Synonyms: diphenylmethyl(6aS,6bR,9aS,10R)-8-(naphthalen-2-yl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxylate
Smiles: O=C([C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc3c(c1)cccc3)C=Cc1c2cccc1)OC(c1ccccc1)c1ccccc1

STK542236
Synonyms: ethyl(1'R,2'S,3R)-2'-[(4-fluorophenyl)carbonyl]-2-oxo-1,1',2,2'-tetrahydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinoline]-1'-carboxylate
Smiles: CCOC(=O)[C@@H]1N2c3ccccc3C=CC2[C@]2([C@@H]1C(=O)c1ccc(cc1)F)C(=O)Nc1c2cccc1

STK542238
Synonyms: 4-methyl-1-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: O=C(N1CCCCC1)CSc1nnc2n1c1sc3c(c1c(=O)n2C)CCCC3

STK542241
Synonyms: (2E)-2-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}-N-(4-methylphenyl)ethanethioamide
Smiles: O=C(CSc1nnc(s1)SCc1ccc(cc1)C)N/N=C/C(=S)Nc1ccc(cc1)C

STK542242
Synonyms: 2,2'-[(12-ethyl-12-methyl-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]bis[1-(4-bromophenyl)ethanone]
Smiles: CCC1(C)OCc2c(C1)c1c3nnc(n3c3n(c1s2)c(SCC(=O)c1ccc(cc1)Br)nn3)SCC(=O)c1ccc(cc1)Br

STK542243
Synonyms: (2Z)-2-cyano-N-(4-methoxyphenyl)-2-[5-(4-methylbenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]ethanamide
Smiles: N#C/C(=C\1/SC(C(=O)N1c1ccccc1)Cc1ccc(cc1)C)/C(=O)Nc1ccc(cc1)OC

STK542244
Synonyms: 6-chloro-4-phenyl-2-[(2Z)-2-(quinoxalin-6-ylmethylidene)hydrazinyl]quinazoline
Smiles: Clc1ccc2c(c1)c(nc(n2)N/N=C\c1ccc2c(c1)nccn2)c1ccccc1

STK542247
Synonyms: 2-{[5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide
Smiles: CCn1c(SCC(=O)N/N=C/c2ccc(cc2)[N+](=O)[O-])nnc1c1ccc(c(c1)OC)OC

STK542248
Synonyms: 11-(4-chlorophenyl)-10-methyl-N-(3-methylphenyl)-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Clc1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1cccc(c1)C)c1ccccc1

STK542249
Synonyms: N'-(propan-2-ylidene)-2-(4-propoxyphenyl)quinoline-4-carbohydrazide
Smiles: CCCOc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)NN=C(C)C

STK542250
Synonyms: methyl4-{(E)-[2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)hydrazinylidene]methyl}benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N/Nc1ccc2n(n1)cnn2

STK542251
Synonyms: 3-{(Z)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[2-(morpholin-4-yl)ethyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: COc1ccc(cc1)CN1C(=S)S/C(=C\c2c(NCCN3CCOCC3)nc3n(c2=O)cccc3)/C1=O

STK542252
Synonyms: methyl5-(3,5-dichlorophenyl)-6a-methyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Smiles: COC(=O)C1=NNC2(C1C(=O)N(C2=O)c1cc(Cl)cc(c1)Cl)C

STK542253
Synonyms: 2-(1,3-benzoxazol-2-ylsulfanyl)-N'-[(1Z)-1-(3-bromophenyl)ethylidene]acetohydrazide
Smiles: O=C(N/N=C(\c1cccc(c1)Br)/C)CSc1nc2c(o1)cccc2

STK542254
Synonyms: 3-benzyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-iodoquinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)C(=O)CSc1nc2ccc(cc2c(=O)n1Cc1ccccc1)I

STK542258
Synonyms: (4Z)-5-(3,4-dimethoxyphenyl)-4-(1-hydroxyethylidene)-1-(prop-2-en-1-yl)pyrrolidine-2,3-dione
Smiles: C=CCN1C(=O)C(=O)/C(=C(\O)/C)/C1c1ccc(c(c1)OC)OC

STK542260
Synonyms: (3aS,6aS)-5-(2-fluorophenyl)-3-(4-nitrophenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Smiles: O=C1[C@@H]2C(=NN([C@@H]2C(=O)N1c1ccccc1F)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STK542261
Synonyms: (4E)-5-(2,4-dichlorophenyl)-4-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
Smiles: COCCCN1C(=O)C(=O)/C(=C(\c2ccc(c(c2)C)OC)/O)/C1c1ccc(cc1Cl)Cl

STK542262
Synonyms: 6-{(2E)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl}[1,2,4]triazolo[4,3-b]pyridazine
Smiles: Fc1ccc(cc1)/C(=N/Nc1ccc2n(n1)cnn2)/C

STK542264
Synonyms: N-benzyl-1-(4-ethoxyphenyl)-2-{[(4-methylphenyl)sulfonyl]amino}-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: CCOc1ccc(cc1)n1c2nc3ccccc3nc2c(c1NS(=O)(=O)c1ccc(cc1)C)C(=O)NCc1ccccc1

STK542265
Synonyms: 2-{[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK542266
Synonyms: N-(4-methylphenyl)-2-[(4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK542267
Synonyms: 2-(5-bromo-2-methoxyphenyl)-5-(4-fluorophenyl)-4-phenyl-1H-imidazole
Smiles: COc1ccc(cc1c1[nH]c(c(n1)c1ccccc1)c1ccc(cc1)F)Br

STK542270
Synonyms: 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N'-[(E)-(4-fluorophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(s1)SCc1ccccc1)N/N=C/c1ccc(cc1)F

STK542271
Synonyms: (4Z)-5-(2-chlorophenyl)-4-(1-hydroxyethylidene)-1-[3-(morpholin-4-yl)propyl]pyrrolidine-2,3-dione
Smiles: C/C(=C\1/C(=O)C(=O)N(C1c1ccccc1Cl)CCCN1CCOCC1)/O

STK542272
Synonyms: 2-{[7,7-dimethyl-5-oxo-4-(2-phenylethyl)-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-(3-methoxyphenyl)acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CC(OC3)(C)C

STK542273
Synonyms: (3aR,6aS)-5-(2,4-dimethylphenyl)-3-(4-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Cc1ccc(c(c1)C)N1C(=O)[C@H]2[C@@H](C1=O)ON=C2c1ccc(cc1)[N+](=O)[O-]

STK542274
Synonyms: 2-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-diphenylacetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)N(c2ccccc2)c2ccccc2)nc2c(c1=O)c1CCCCc1s2

STK542275
Synonyms: (3aS,6aS)-3-(4-bromophenyl)-5-(3-fluorophenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Smiles: Brc1ccc(cc1)C1=NN([C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)F)c1ccccc1

STK542276
Synonyms: (2Z)-N-(2-{(2E)-2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl}-2-oxoethyl)-3-(2-methoxyphenyl)prop-2-enamide(non-preferredname)
Smiles: COc1ccc(c(c1)OC)/C(=N/NC(=O)CNC(=O)/C=C\c1ccccc1OC)/C

STK542277
Synonyms: 1-amino-N,N-diethyl-8,8-dimethyl-5-(morpholin-4-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
Smiles: CCN(C(=O)c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCOCC1)CC

STK542278
Synonyms: ethyl[(4-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1nncn1N

STK542279
Synonyms: 6,6-dimethyl-3-(4-methylphenyl)-2-(methylsulfanyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CC(SC3)(C)C

STK542283
Synonyms: 2-[4-(4-chlorobenzyl)piperazin-1-yl]-N'-[(E)-(2-fluorophenyl)methylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)Cl)N/N=C/c1ccccc1F

STK542286
Synonyms: 2,6-bis(4-chlorophenyl)-N-hydroxy-3,5-dimethylpiperidin-4-imine
Smiles: CC1/C(=N/O)/C(C)C(NC1c1ccc(cc1)Cl)c1ccc(cc1)Cl

STK542287
Synonyms: 4-(3-chlorophenyl)-2-(2,5-dimethoxyphenyl)-5-phenyl-1H-imidazole
Smiles: COc1ccc(c(c1)c1nc(c([nH]1)c1ccccc1)c1cccc(c1)Cl)OC

STK542289
Synonyms: 3-cyclohexyl-2-methyl-11-pentyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: CCCCCn1c2nc3ccccc3nc2c2c1nc(C)n(c2=O)C1CCCCC1

STK542290
Synonyms: N-(2,5-dimethylphenyl)-10-methyl-8,11-diphenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Cc1ccc(c(c1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccccc1)C)c1ccccc1)C

STK542293
Synonyms: N-{1-[1-(2-chloro-6-fluorobenzyl)-1H-benzimidazol-2-yl]butyl}benzamide
Smiles: CCCC(c1nc2c(n1Cc1c(F)cccc1Cl)cccc2)NC(=O)c1ccccc1

STK542295
Synonyms: 2-(ethylsulfanyl)-3-(2-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CCSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1OC)CCCC3

STK542297
Synonyms: 6-iodo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenylquinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)SCC(=O)c1ccccc1)c1ccccc1

STK542298
Synonyms: methylN-(6-ethoxy-1,3-benzothiazol-2-yl)-3,3,3-trifluoro-2-(propanoylamino)alaninate
Smiles: CCOc1ccc2c(c1)sc(n2)NC(C(F)(F)F)(C(=O)OC)NC(=O)CC

STK542299
Synonyms: methyl2-methyl-6-(piperidin-1-yl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate
Smiles: COC(=O)C1(N=C(OC(=N1)C)N1CCCCC1)C(F)(F)F

STK542300
Synonyms: 2-{[3-(3-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Smiles: O=C(CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCCC3)NCCc1ccccc1

STK542302
Synonyms: 4-[5-(2-chloro-7-methoxyquinolin-3-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoicacid
Smiles: COc1ccc2c(c1)nc(c(c2)C1CC(=NN1C(=O)CCC(=O)O)c1ccc(c(c1)OC)OC)Cl

STK542303
Synonyms: 4-(3-chlorophenyl)-2-(3-methoxyphenyl)-5-phenyl-1H-imidazole
Smiles: COc1cccc(c1)c1nc(c([nH]1)c1ccccc1)c1cccc(c1)Cl

STK542305
Synonyms: N-benzyl-2-{[3-(3-methylphenyl)-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: O=C(NCc1ccccc1)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(OC3)C(C)C

STK542306
Synonyms: 6-iodo-2-(methylsulfanyl)-3-(prop-2-en-1-yl)quinazolin-4(3H)-one
Smiles: CSc1nc2ccc(cc2c(=O)n1CC=C)I

STK542307
Synonyms: (4Z)-4-[ethoxy(hydroxy)methylidene]-5-(3-nitrophenyl)-1-phenylpyrrolidine-2,3-dione
Smiles: CCO/C(=C\1/C(c2cccc(c2)[N+](=O)[O-])N(C(=O)C1=O)c1ccccc1)/O

STK542309
Synonyms: 2-{2-[3,4-dimethoxy-5-(morpholin-4-ylsulfonyl)phenyl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: COc1c(OC)cc(cc1S(=O)(=O)N1CCOCC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK542310
Synonyms: 1-benzyl-2'-[2-(difluoromethoxy)phenyl]-7'-methoxy-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCN(CC1)Cc1ccccc1)N1C2CC(=N1)c1ccccc1OC(F)F

STK542311
Synonyms: (4E)-4-[(4-butoxy-3-methylphenyl)(hydroxy)methylidene]-5-(3-ethoxy-4-hydroxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Smiles: CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OCC)O)Cc1cccnc1)/O

STK542312
Synonyms: 8-fluoro-3-{[(E)-(2-fluorophenyl)methylidene]amino}-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: Fc1ccc2c(c1)c1nc(C)n(c(=O)c1[nH]2)/N=C/c1ccccc1F

STK542313
Synonyms: ethyl{[3-(2-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1OC)CCCC3

STK542314
Synonyms: 1-[3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-3-(4-phenylpiperazin-1-yl)propan-1-one
Smiles: Brc1ccc(cc1)C1CC(=NN1C(=O)CCN1CCN(CC1)c1ccccc1)c1ccc(cc1)Br

STK542315
Synonyms: N-(2,4-dichlorophenyl)-2-[(5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)sulfanyl]acetamide
Smiles: CCCc1nc2sc3c(c2c2c1CCCC2)ncnc3SCC(=O)Nc1ccc(cc1Cl)Cl

STK542316
Synonyms: 11-{[3-(dimethylamino)propyl]amino}-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: N#Cc1c2CCCc2c(n2c1nc1c2cccc1)NCCCN(C)C

STK542317
Synonyms: ethyl(8R,8aR)-6-amino-5,7,7-tricyano-8-(2,5-dimethoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: CCOC(=O)N1CC=C2[C@H](C1)[C@@H](c1cc(OC)ccc1OC)C(C(=C2C#N)N)(C#N)C#N

STK542318
Synonyms: 8-[(2-chloro-6-fluorobenzyl)sulfanyl]-1,3-dimethyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCn1c(SCc2c(F)cccc2Cl)nc2c1c(=O)n(c(=O)n2C)C

STK542319
Synonyms: 2-(4-{[(3,4-dimethoxyphenyl)carbonyl]carbamothioyl}piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylicacid
Smiles: COc1cc(ccc1OC)C(=O)NC(=S)N1CCN(CC1)c1ncc2c(n1)n(CC)cc(c2=O)C(=O)O

STK542320
Synonyms: N-(3-chlorophenyl)-10-methyl-8,11-diphenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Clc1cccc(c1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccccc1)C)c1ccccc1

STK542323
Synonyms: 7-hydroxy-3-(naphthalen-2-yloxy)-8-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-4H-chromen-4-one
Smiles: Oc1ccc2c(c1CN1CCCCC1)oc(c(c2=O)Oc1ccc2c(c1)cccc2)C(F)(F)F

STK542326
Synonyms: 11-(4-bromophenyl)-3-butyl-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: CCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(cc1)Br

STK542327
Synonyms: 8-benzyl-1-methyl-4-(3-methylphenyl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Cc1cccc(c1)n1c(=O)c2c3CCN(Cc3sc2n2c1nnc2C)Cc1ccccc1

STK542328
Synonyms: 3-chloro-N-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamothioyl)-6-fluoro-1-benzothiophene-2-carboxamide
Smiles: S=C(NC(=O)c1sc2c(c1Cl)ccc(c2)F)Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C

STK542329
Synonyms: 2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-8,8-dimethyl-3-(4-methylphenyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)F)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C

STK542330
Synonyms: 1-[(2,6-difluorobenzyl)oxy]-3-(thiophen-2-yl)quinoxalin-2(1H)-one4-oxide
Smiles: Fc1cccc(c1COn1c(=O)c(c2cccs2)[n+](c2c1cccc2)[O-])F

STK542331
Synonyms: 3-{[(E)-(2-fluorophenyl)methylidene]amino}-2,8-dimethyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: Cc1ccc2c(c1)c1nc(C)n(c(=O)c1[nH]2)/N=C/c1ccccc1F

STK542332
Synonyms: N-(furan-2-ylmethyl)-2-{[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCCC3)NCc1ccco1

STK542333
Synonyms: diphenylmethyl(8S,8aR,11aS)-10-(4-methylphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylate
Smiles: Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)OC(c2ccccc2)c2ccccc2)C=Cc2c1cccc2

STK542334
Synonyms: 2-{[7,7-dimethyl-4-(3-methylphenyl)-5-oxo-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-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CC(OC3)(C)C

STK542335
Synonyms: 4-hydroxy-2-oxo-1-propyl-N-(1,3-thiazol-2-yl)-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Smiles: CCCn1c2CCCCc2c(c(c1=O)C(=O)Nc1nccs1)O

STK542336
Synonyms: (3aS,6aS)-3-(4-bromophenyl)-5-(3-chlorophenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Smiles: Brc1ccc(cc1)C1=NN([C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)Cl)c1ccccc1

STK542339
Synonyms: 11-(2-methoxyphenyl)-10-methyl-N-(2-methylphenyl)-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1ccccc1C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1ccccc1C)nc1c2cccc1

STK542341
Synonyms: 2-(hexylsulfanyl)-6,6-dimethyl-3-phenyl-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CCCCCCSc1nc2sc3c(c2c(=O)n1c1ccccc1)CC(SC3)(C)C

STK542342
Synonyms: (6aR,6bS,9aR,10S)-10-[(4-chlorophenyl)carbonyl]-8-(4-methoxyphenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: COc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)c1ccc(cc1)Cl

STK542343
Synonyms: 7-(4-{[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylicacid
Smiles: COc1cc(OC)cc(c1)C(=O)NC(=S)N1CCN(CC1)c1cc2n(CC)cc(c(=O)c2cc1F)C(=O)O

STK542344
Synonyms: N-butyl-2-cyano-2-[3-(morpholin-4-yl)quinoxalin-2-yl]acetamide
Smiles: CCCCNC(=O)C(c1nc2ccccc2nc1N1CCOCC1)C#N

STK542346
Synonyms: 1-[(2,6-difluorobenzyl)oxy]-3-methylquinoxalin-2(1H)-one4-oxide
Smiles: Fc1cccc(c1COn1c(=O)c(C)[n+](c2c1cccc2)[O-])F

STK542347
Synonyms: ethyl(8S,8aR)-6-amino-5,7,7-tricyano-8-[3-ethoxy-4-(propan-2-yloxy)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: CCOc1cc(ccc1OC(C)C)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OCC

STK542348
Synonyms: diphenylmethyl(8S,8aR,11aS)-10-(3-chlorophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylate
Smiles: Clc1cccc(c1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)OC(c2ccccc2)c2ccccc2)C=Cc2c1cccc2

STK542349
Synonyms: 3-[(Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: COc1cc(CCN2C(=S)S/C(=C\c3c(NCC(C)C)nc4n(c3=O)cccc4)/C2=O)ccc1OC

STK542350
Synonyms: (6aR,6bS,9aR,10S)-8-(1,3-benzodioxol-5-yl)-10-[(3-nitrophenyl)carbonyl]-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: O=C([C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc3c(c1)OCO3)C=Cc1c2cccc1)c1cccc(c1)[N+](=O)[O-]

STK542351
Synonyms: 2-{[11-(2-methylpropyl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-3-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide
Smiles: CC(Cc1nc2sc3c(c2c2c1CCCC2)ncn1c3nnc1SCC(=O)NC(CCc1ccccc1)C)C

STK542352
Synonyms: 2-methyl-11-(3-methylphenyl)-3-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: Cc1cccc(c1)n1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)CCc1ccccc1

STK542354
Synonyms: 3-(4-fluorobenzyl)-7,8-dimethoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1cc2c(cc1OC)[nH]c1c2ncn(c1=O)Cc1ccc(cc1)F

STK542355
Synonyms: (6aR,6bS,9aR,10S)-10-[(4-bromophenyl)carbonyl]-2-chloro-8-(naphthalen-1-yl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Clc1ccc2c(c1)N1[C@H](C=C2)[C@@H]2[C@H]([C@H]1C(=O)c1ccc(cc1)Br)C(=O)N(C2=O)c1cccc2c1cccc2

STK542356
Synonyms: 3-[(Z)-(3-cyclopentyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CN1CCN(CC1)c1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C1CCCC1

STK542359
Synonyms: (9E)-9-(3-methoxybenzylidene)-3,5-bis(3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline
Smiles: COc1cccc(c1)/C=C/1\CCCC2=C1N=c1scc(n1C2c1cccc(c1)OC)c1cccc(c1)OC

STK542360
Synonyms: methyl(1-{3-[(Z)-(3-cyclopentyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}-3-oxopiperazin-2-yl)acetate
Smiles: COC(=O)CC1C(=O)NCCN1c1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C1CCCC1

STK542362
Synonyms: 2-amino-1-(3-chloro-4-methoxyphenyl)-N-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(c(c1)Cl)OC

STK542364
Synonyms: 3,7-bis(benzylsulfanyl)-12-ethyl-12-methyl-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
Smiles: CCC1(C)OCc2c(C1)c1c3nnc(n3c3n(c1s2)c(SCc1ccccc1)nn3)SCc1ccccc1

STK542365
Synonyms: 2-(4-methoxybenzyl)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: COc1ccc(cc1)Cc1nn2c(n1)c1c(nc2)sc2c1CC(C)(C)OC2

STK542369
Synonyms: 2-(ethylsulfanyl)-8,8-dimethyl-3-(3-methylphenyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Smiles: CCSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1cccc(c1)C

STK542370
Synonyms: N-(2-methoxyphenyl)-2-{[3-(2-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: COc1ccccc1NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)CCCCC3

STK542371
Synonyms: N-(4-bromophenyl)-4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Smiles: Brc1ccc(cc1)NC(=O)c1c(=O)[nH]c2c(c1O)CCCC2

STK542372
Synonyms: 2-(1,3-benzoxazol-2-ylsulfanyl)-N'-[(E)-(4-ethylphenyl)methylidene]acetohydrazide
Smiles: CCc1ccc(cc1)/C=N/NC(=O)CSc1nc2c(o1)cccc2

STK542373
Synonyms: ethyl5-chloro-3-[(ethylcarbamothioyl)amino]-1H-indole-2-carboxylate
Smiles: CCNC(=S)Nc1c([nH]c2c1cc(Cl)cc2)C(=O)OCC

STK542374
Synonyms: 4-[(3aR,6aS)-3-(4-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)C(=NO2)c1ccc(cc1)[N+](=O)[O-]

STK542376
Synonyms: 3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-(thiomorpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: S=C1S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCSCC2)/C(=O)N1Cc1ccc2c(c1)OCO2

STK542377
Synonyms: (8S,8aR)-6-amino-2-benzyl-8-(3,4-diethoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: CCOc1cc(ccc1OCC)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)Cc1ccccc1

STK542378
Synonyms: N-[4-(acetylamino)phenyl]-2-[(3-cyclohexyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)NC(=O)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCCCC1)CCCCC3

STK542379
Synonyms: ethyl2-[(3-chloroquinoxalin-2-yl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(scc1c1ccc(cc1)C)Nc1nc2ccccc2nc1Cl

STK542380
Synonyms: 3-{(Z)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(thiomorpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: COc1ccc(cc1)CN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCSCC2)/C1=O

STK542381
Synonyms: 2'-(5-bromofuran-2-yl)-4-phenyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: Brc1ccc(o1)C1=NN2C(C1)c1ccccc1OC12CCC(CC1)c1ccccc1

STK542382
Synonyms: N-(diphenylmethyl)-2-[(4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)sulfanyl]acetamide
Smiles: O=C(NC(c1ccccc1)c1ccccc1)CSc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK542383
Synonyms: 2-amino-N-(4-fluorobenzyl)-1-[2-(2-fluorophenyl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: Fc1ccc(cc1)CNC(=O)c1c(N)n(c2c1nc1ccccc1n2)CCc1ccccc1F

STK542384
Synonyms: ethyl[(3-benzyl-5-ethyl-5-methyl-4-oxo-3,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1nc2c3ccccc3CC(c2c(=O)n1Cc1ccccc1)(C)CC

STK542385
Synonyms: (6aR,6bS,9aR,10S)-8-(3,5-dichlorophenyl)-10-[(4-methoxyphenyl)carbonyl]-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: COc1ccc(cc1)C(=O)[C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1cc(Cl)cc(c1)Cl)C=Cc1c2cccc1

STK542386
Synonyms: 3-benzyl-2-[(Z)-(1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-6-iodoquinazolin-4(3H)-one
Smiles: CCN1C(=O)/C(=C\c2nc3ccc(cc3c(=O)n2Cc2ccccc2)I)/c2c1cccc2

STK542387
Synonyms: 2-{4-[2-(furan-2-ylcarbonyl)hydrazinyl]-4-oxobutan-2-yl}-5-methylhexanoicacid
Smiles: CC(CCC(C(CC(=O)NNC(=O)c1ccco1)C)C(=O)O)C

STK542388
Synonyms: 3,7-bis(benzylsulfanyl)-11-tert-butyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine
Smiles: CC(C1CCc2c(C1)sc1c2c2nnc(n2c2n1c(SCc1ccccc1)nn2)SCc1ccccc1)(C)C

STK542389
Synonyms: 9-[(3-methylbutyl)sulfanyl]-8-(prop-2-en-1-yl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
Smiles: C=CCn1c(SCCC(C)C)nc2c(c1=O)c1CCc3c(c1s2)cccc3

STK542390
Synonyms: diphenylmethyl(6aR,6bS,9aR,10S)-8-(4-methylphenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxylate
Smiles: Cc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)OC(c1ccccc1)c1ccccc1

STK542391
Synonyms: (6aR,6bS,9aR,10S)-N-(4-chlorophenyl)-8-(4-methoxyphenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Smiles: COc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)Nc1ccc(cc1)Cl

STK542392
Synonyms: 2-{[3-(2-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Smiles: COc1ccccc1n1c(SCC(=O)Nc2cccc(c2)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK542394
Synonyms: methyl2-(acetylamino)-N-1,3-benzothiazol-2-yl-3,3,3-trifluoroalaninate
Smiles: COC(=O)C(C(F)(F)F)(Nc1nc2c(s1)cccc2)NC(=O)C

STK542395
Synonyms: 2-amino-N-cyclopropyl-1-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: COc1cc(ccc1OC)n1c2nc3ccccc3nc2c(c1N)C(=O)NC1CC1

STK542397
Synonyms: (2E,6E)-2-(furan-2-ylmethylidene)-6-(4-methoxybenzylidene)cyclohexanone
Smiles: COc1ccc(cc1)/C=C/1\CCC/C(=C\c2ccco2)/C1=O

STK542398
Synonyms: 4-hydrazinyl-6-(propan-2-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: NNc1ncnc2c1c1CC(OCc1s2)C(C)C

STK542399
Synonyms: 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone
Smiles: COc1ccc2c(c1)c(c[nH]2)C(=O)CN1CCN(CC1)c1cccc(c1)Cl

STK542400
Synonyms: 3-(4-methylphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: Cc1ccc(cc1)n1c(SCC(=O)N2CCCCC2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK542401
Synonyms: 4-fluoro-N-[1-(1-phenylethyl)-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl]benzenesulfonamide
Smiles: Fc1ccc(cc1)S(=O)(=O)Nc1n(C(c2ccccc2)C)c2c(c1S(=O)(=O)c1ccccc1)nc1c(n2)cccc1

STK542402
Synonyms: N-[4-(acetylamino)phenyl]-2-{[3-(3-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)NC(=O)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCCC3

STK542403
Synonyms: N-(4-butylphenyl)-11-(4-tert-butylphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCCCc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)C(C)(C)C)c(nn1c1ccccc1)C

STK542406
Synonyms: methyl4-[6-(1,3-benzodioxol-5-ylamino)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1ccc3c(c1)OCO3)nc1c2cccc1

STK542408
Synonyms: 1-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-4-methyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: C/C(=C/CSc1nnc2n1c1sc3c(c1c(=O)n2C)CCCC3)/Cl

STK542409
Synonyms: (5Z)-1-(2-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccccc1N1C(=O)NC(=O)/C(=C/c2cccn2C)/C1=O

STK542411
Synonyms: (2Z)-2-(5-benzyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-N-(4-chlorophenyl)-2-cyanoethanamide
Smiles: N#C/C(=C\1/SC(C(=O)N1c1ccccc1)Cc1ccccc1)/C(=O)Nc1ccc(cc1)Cl

STK542412
Synonyms: 2-[(3-hydroxypropyl)amino]-3-{(Z)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: OCCCNc1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccc(cc1)OC)C

STK542413
Synonyms: 6-bromo-3-[5-(4-bromophenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-methyl-4-phenylquinoline
Smiles: Brc1ccc(cc1)C1CC(=NN1S(=O)(=O)C)c1c(C)nc2c(c1c1ccccc1)cc(cc2)Br

STK542414
Synonyms: 9'-bromo-2'-(3,4-dichlorophenyl)-1-methyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: CN1CCC2(CC1)Oc1ccc(cc1C1N2N=C(C1)c1ccc(c(c1)Cl)Cl)Br

STK542416
Synonyms: dipropan-2-yl[(3,4-dimethoxyphenyl)(phenylamino)methyl]phosphonate
Smiles: COc1cc(ccc1OC)C(P(=O)(OC(C)C)OC(C)C)Nc1ccccc1

STK542417
Synonyms: N-(naphthalen-1-yl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2cccc3c2cccc3)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK542419
Synonyms: 2-({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(s1)SCc1ccc(cc1)C)N/N=C/c1cccn1C

STK542420
Synonyms: N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-1-benzofuran-2-carbohydrazide
Smiles: O=C(c1cc2c(o1)cccc2)N/N=C/c1ccc2c(c1)OCO2

STK542421
Synonyms: (3aS,6aS)-3-(4-bromophenyl)-5-(2-methyl-4-nitrophenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Smiles: Brc1ccc(cc1)C1=NN([C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1C)[N+](=O)[O-])c1ccccc1

STK542422
Synonyms: 2-{[5-(ethylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(furan-2-ylmethyl)acetamide
Smiles: CCSc1nc2sc3c(c2c2n1c(SCC(=O)NCc1ccco1)nn2)CCCC3

STK542424
Synonyms: (4E)-5-(4-bromophenyl)-4-[(4-ethoxyphenyl)(hydroxy)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Smiles: CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Br)Cc1cccnc1)/O

STK542425
Synonyms: N'-[(E)-(2-methoxynaphthalen-1-yl)methylidene]-2-({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetohydrazide
Smiles: COc1ccc2c(c1/C=N/NC(=O)CSc1nnc(s1)SCc1ccc(cc1)C)cccc2

STK542426
Synonyms: ethyl3-{[3-(3,3-dimethylpiperidin-1-yl)propanoyl]amino}-5-methoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCCC(C1)(C)C)cc(cc2)OC

STK542427
Synonyms: 2-[(4-methoxybenzyl)sulfanyl]-6,6-dimethyl-3-(3-methylphenyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: COc1ccc(cc1)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(SC3)(C)C

STK542429
Synonyms: N-(2,4-dichlorophenyl)-2-{[7,7-dimethyl-5-oxo-4-(2-phenylethyl)-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}acetamide
Smiles: O=C(Nc1ccc(cc1Cl)Cl)CSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CC(OC3)(C)C

STK542432
Synonyms: 9-(4-chlorophenyl)-2-(naphthalen-1-yl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione
Smiles: Clc1ccc(cc1)C1N2CCCN2C2C1C(=O)N(C2=O)c1cccc2c1cccc2

STK542433
Synonyms: N-(4-acetylphenyl)-2-{[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)C(=O)C)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1

STK542434
Synonyms: N-[1-(1-benzyl-1H-benzimidazol-2-yl)pentyl]benzamide
Smiles: CCCCC(c1nc2c(n1Cc1ccccc1)cccc2)NC(=O)c1ccccc1

STK542436
Synonyms: [11-(2-ethoxyphenyl)-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl](phenyl)methanone
Smiles: CCOc1ccccc1C1C2=C(O)CC(CC2=Nc2c(N1C(=O)c1ccccc1)cccc2)(C)C

STK542437
Synonyms: 2-(3-bromophenyl)-1-(4-ethoxyphenyl)-1H-imidazo[4,5-b]quinoxaline
Smiles: CCOc1ccc(cc1)n1c(nc2c1nc1ccccc1n2)c1cccc(c1)Br

STK542438
Synonyms: 9-methyl-3-{(Z)-[4-oxo-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(thiomorpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CC(N1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCSCC2)/C1=O)C

STK542439
Synonyms: (4E)-5-(4-chlorophenyl)-4-(1-hydroxyethylidene)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Smiles: Clc1ccc(cc1)C1/C(=C(\O)/C)/C(=O)C(=O)N1Cc1cccnc1

STK542440
Synonyms: (4E)-4-[hydroxy(4-methoxyphenyl)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)/C(=C\1/C(c2cccc(c2)Oc2ccccc2)N(C(=O)C1=O)c1nnc(s1)C)/O

STK542443
Synonyms: (2E)-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-3-phenylprop-2-enamide
Smiles: S=C(Nc1cc(cc(c1O)Cl)[N+](=O)[O-])NC(=O)/C=C/c1ccccc1

STK542445
Synonyms: 11-(4-ethoxyphenyl)-10-methyl-8-phenyl-N-[3-(trifluoromethyl)phenyl]-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCOc1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1cccc(c1)C(F)(F)F)nc1c2cccc1

STK542446
Synonyms: 3-[(Z)-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2ccccc2OC)/C1=O

STK542448
Synonyms: 3-(4-bromophenyl)-6-iodo-2-[(E)-2-(2-methylphenyl)ethenyl]quinazolin-4(3H)-one
Smiles: Brc1ccc(cc1)n1c(/C=C/c2ccccc2C)nc2c(c1=O)cc(cc2)I

STK542449
Synonyms: 2-cyano-N-cyclopropyl-2-[3-(piperidin-1-yl)quinoxalin-2-yl]acetamide
Smiles: N#CC(c1nc2ccccc2nc1N1CCCCC1)C(=O)NC1CC1

STK542453
Synonyms: N-(4-fluorophenyl)-6-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
Smiles: CC1CCc2c(C1)c1c(ncnc1s2)Nc1ccc(cc1)F

STK542454
Synonyms: 2-{4-[(4-bromophenyl)sulfonyl]piperazin-1-yl}-N'-[(E)-pyridin-3-ylmethylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br)N/N=C/c1cccnc1

STK542455
Synonyms: N-(4-methylphenyl)-2-[(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nnc2n1c(C)nc1c2c2CC(C)(C)OCc2s1

STK542456
Synonyms: (2E)-1-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-3-phenylprop-2-en-1-one
Smiles: COc1ccc(cc1)C1CC(=NN1C(=O)/C=C/c1ccccc1)c1ccc(cc1)Br

STK542457
Synonyms: 9-methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(thiomorpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: Cc1ccc(cc1)CN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCSCC2)/C1=O

STK542458
Synonyms: 2-[(4-methoxybenzyl)sulfanyl]-8,8-dimethyl-3-(4-methylphenyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Smiles: COc1ccc(cc1)CSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1ccc(cc1)C

STK542459
Synonyms: methylN-[(2,4-dichlorophenyl)carbonyl]-3,3,3-trifluoro-2-[2-(4-nitrophenyl)hydrazinyl]alaninate
Smiles: COC(=O)C(C(F)(F)F)(NC(=O)c1ccc(cc1Cl)Cl)NNc1ccc(cc1)[N+](=O)[O-]

STK542461
Synonyms: (3aS,6aS)-5-(3-fluorophenyl)-3-(4-nitrophenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Smiles: Fc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)N(N=C2c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK542462
Synonyms: 3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-ethylpiperazin-1-yl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCN1CCN(CC1)c1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccccc1Cl

STK542463
Synonyms: 10-methyl-N-(2-methylphenyl)-8-phenyl-11-(thiophen-2-yl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Cc1ccccc1Nc1nc2ccccc2n2c1=Nc1c(C2c2cccs2)c(nn1c1ccccc1)C

STK542464
Synonyms: 11-(3-bromophenyl)-N-(3-fluorophenyl)-10-methyl-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)F)c1ccccc1

STK542465
Synonyms: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(8-methoxy-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone
Smiles: COc1ccc2c(c1)c1CN(CCc1[nH]2)C(=O)CN1CCN(CC1)c1cc(Cl)ccc1C

STK542467
Synonyms: (6aR,6bS,9aR,10S)-N-(4-chlorophenyl)-8-(4-fluorophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Smiles: Fc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)Nc1ccc(cc1)Cl

STK542468
Synonyms: (8R,8aR)-6-amino-8-(2,5-dichlorophenyl)-2-ethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: CCN1CC=C2[C@H](C1)[C@@H](c1cc(Cl)ccc1Cl)C(C(=C2C#N)N)(C#N)C#N

STK542470
Synonyms: 10H-spiro[acridine-9,3'-benzo[f]chromene]
Smiles: c1ccc2c(c1)Nc1c(C32C=Cc2c(O3)ccc3c2cccc3)cccc1

STK542471
Synonyms: 2-[(4-methoxybenzyl)sulfanyl]-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: COc1ccc(cc1)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CC(SC3)(C)C

STK542472
Synonyms: 2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3-(2-phenylethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: O=C(N1CCCCC1)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCCC3

STK542474
Synonyms: 2-{[3-(3-methylphenyl)-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide
Smiles: CC(NC(=O)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(OC3)C(C)C)CCc1ccccc1

STK542475
Synonyms: (4-chlorophenyl){(1R,2S,3R,3aR)-2-[4-(dimethylamino)phenyl]-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl}methanone
Smiles: Clc1ccc(cc1)C(=O)[C@H]1[C@H](c2ccc(cc2)N(C)C)[C@H]([C@@H]2N1c1ccccc1C=C2)[N+](=O)[O-]

STK542479
Synonyms: 1-benzyl-N-(3-bromophenyl)-4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Smiles: Brc1cccc(c1)NC(=O)c1c(O)c2CCCCc2n(c1=O)Cc1ccccc1

STK542480
Synonyms: 2-{[3-cyano-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)OC)NC2=C(C1c1cccc(c1Cl)Cl)C(=O)CCC2

STK542481
Synonyms: butyl4-{[(pyridin-3-ylcarbonyl)carbamothioyl]amino}benzoate
Smiles: CCCCOC(=O)c1ccc(cc1)NC(=S)NC(=O)c1cccnc1

STK542482
Synonyms: 3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-11-(4-methoxyphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: COc1ccc(cc1)n1c2ncn(c(=O)c2c2c1nc1ccccc1n2)c1c(C)n(n(c1=O)c1ccccc1)C

STK542483
Synonyms: 2-{[6,6-dimethyl-3-(3-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide
Smiles: CC(NC(=O)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(OC3)(C)C)CCc1ccccc1

STK542484
Synonyms: (2E)-3-[4-(propan-2-yl)phenyl]-N-{[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl}prop-2-enamide
Smiles: S=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)NC(=O)/C=C/c1ccc(cc1)C(C)C

STK542485
Synonyms: ethyl4-[2,2-dimethyl-5-(morpholin-4-yl)-8-oxo-1,8-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-9(4H)-yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1cnc2c(c1=O)sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK542486
Synonyms: (8R,8aR)-6-amino-2-benzyl-8-(2,5-dimethoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: COc1ccc(c(c1)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)Cc1ccccc1)OC

STK542487
Synonyms: N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-6-oxo-1,6-dihydropyridazine-3-carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2ccc(=O)[nH]n2)ccc1OC

STK542490
Synonyms: 6,6-dimethyl-2-[(2-methylprop-2-en-1-yl)sulfanyl]-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: CC(=C)CSc1nc(N)c2c(n1)sc1c2CC(SC1)(C)C

STK542491
Synonyms: (3aR,6aS)-5-(4-chlorophenyl)-3-(4-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Clc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)ON=C2c1ccc(cc1)[N+](=O)[O-]

STK542493
Synonyms: 2-cyano-N-(2-methoxyethyl)-2-[3-(morpholin-4-yl)quinoxalin-2-yl]acetamide
Smiles: COCCNC(=O)C(c1nc2ccccc2nc1N1CCOCC1)C#N

STK542494
Synonyms: methyl(1R,2R,3R,3aS)-3-cyano-2-phenyl-1-(phenylcarbonyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: COC(=O)[C@]1(C#N)[C@@H](c2ccccc2)[C@@H](N2[C@H]1C=Cc1c2cccc1)C(=O)c1ccccc1

STK542496
Synonyms: 1-(3,5-dimethylpiperidin-1-yl)-3-methyl-2-(3-methylbutyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: N#Cc1c(C)c(CCC(C)C)c(n2c1nc1c2cccc1)N1CC(C)CC(C1)C

STK542498
Synonyms: (4E)-5-(3-ethoxy-4-hydroxyphenyl)-4-{hydroxy[3-methyl-4-(2-methylpropoxy)phenyl]methylidene}-1-(3-methoxypropyl)pyrrolidine-2,3-dione
Smiles: COCCCN1C(c2ccc(c(c2)OCC)O)/C(=C(/c2ccc(c(c2)C)OCC(C)C)\O)/C(=O)C1=O

STK542499
Synonyms: N-(3-bromophenyl)-4-hydroxy-2-oxo-1-propyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Smiles: CCCn1c2CCCCc2c(c(c1=O)C(=O)Nc1cccc(c1)Br)O

STK542500
Synonyms: N-[(E)-{4-methoxy-3-[(pyridin-2-yloxy)methyl]phenyl}methylidene]-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-amine
Smiles: COc1ccc(cc1COc1ccccn1)/C=N/N1C=Nc2c(C1)[nH]c1c2cccc1

STK542501
Synonyms: 2-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-N'-[(Z)-(2-fluorophenyl)methylidene]acetohydrazide
Smiles: O=C(CN1CCn2c3C1CCCc3c1c2ccc(c1)C1CCCCC1)N/N=C\c1ccccc1F

STK542502
Synonyms: (1E)-1-{2-[2-(4-bromophenoxy)ethoxy]-3,5-dichlorobenzylidene}-2-(4-nitrophenyl)hydrazine
Smiles: Clc1cc(/C=N/Nc2ccc(cc2)[N+](=O)[O-])c(c(c1)Cl)OCCOc1ccc(cc1)Br

STK542503
Synonyms: methyl7-(4-ethoxyphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Smiles: CCOc1ccc(cc1)N1C(=O)CC2(C1=O)NN=C(C2)C(=O)OC

STK542505
Synonyms: 8-chloro-4-(3-methylpiperidin-1-yl)-5H-pyrimido[5,4-b]indole
Smiles: CC1CCCN(C1)c1ncnc2c1[nH]c1c2cc(cc1)Cl

STK542507
Synonyms: (6aS,6bR,9aS,10R)-10-(1H-benzotriazol-1-ylcarbonyl)-8-(2,4-dimethylphenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Cc1ccc(c(c1)C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)n1nnc2c1cccc2

STK542508
Synonyms: (4E)-1-[2-(dimethylamino)ethyl]-4-[hydroxy(4-methoxy-2-methylphenyl)methylidene]-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1ccc(c(c1)C)/C(=C\1/C(c2ccc(c(c2)OC)O)N(C(=O)C1=O)CCN(C)C)/O

STK542509
Synonyms: N-(3-chlorophenyl)-11-(2-methoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1ccccc1C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1cccc(c1)Cl)c1ccccc1

STK542510
Synonyms: 1-ethyl-6-fluoro-7-(4-{[(3-fluorophenyl)carbonyl]carbamothioyl}piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=S)NC(=O)c1cccc(c1)F)c(c2)F

STK542511
Synonyms: 2-amino-N-(furan-2-ylmethyl)-1-hexyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: CCCCCCn1c2nc3ccccc3nc2c(c1N)C(=O)NCc1ccco1

STK542512
Synonyms: N-(3,5-dimethylphenyl)-11-(2-fluorophenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Cc1cc(cc(c1)C)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccccc1F)C)c1ccccc1

STK542513
Synonyms: 2-{[6,6-dimethyl-3-(4-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-diphenylacetamide
Smiles: Cc1ccc(cc1)n1c(SCC(=O)N(c2ccccc2)c2ccccc2)nc2c(c1=O)c1CC(C)(C)SCc1s2

STK542516
Synonyms: 1-(1,3-benzodioxol-5-ylmethyl)-N-benzyl-2-{[(4-methylphenyl)sulfonyl]amino}-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: Cc1ccc(cc1)S(=O)(=O)Nc1c(C(=O)NCc2ccccc2)c2c(n1Cc1ccc3c(c1)OCO3)nc1c(n2)cccc1

STK542518
Synonyms: 2-amino-1-(2,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonitrile
Smiles: COc1cc(OC)ccc1n1c2nc3ccccc3nc2c(c1N)C#N

STK542519
Synonyms: N'-[(1Z)-1-(3-bromophenyl)ethylidene]-2-{[5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: COc1ccc(cc1)c1nnc(n1c1ccc(cc1)C)SCC(=O)N/N=C(\c1cccc(c1)Br)/C

STK542520
Synonyms: N'-[(E)-(5-bromo-2-methoxyphenyl)methylidene]-2-{[5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: COc1cc(ccc1OC)c1nnc(n1CC)SCC(=O)N/N=C/c1cc(Br)ccc1OC

STK542521
Synonyms: N-{3-[(4-butylphenyl)amino]quinoxalin-2-yl}-2,5-dichlorobenzenesulfonamide
Smiles: CCCCc1ccc(cc1)Nc1nc2ccccc2nc1NS(=O)(=O)c1cc(Cl)ccc1Cl

STK542522
Synonyms: (3aR,4S,9aR,9bS)-4-[(4-bromophenyl)carbonyl]-2-(3-fluorophenyl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione
Smiles: Fc1cccc(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccc(cc2)Br)C=CC(=C1)C(=O)c1ccccc1

STK542523
Synonyms: 4,5-dimethyl-2-{[3-(morpholin-4-yl)quinoxalin-2-yl]amino}thiophene-3-carbonitrile
Smiles: N#Cc1c(Nc2nc3ccccc3nc2N2CCOCC2)sc(c1C)C

STK542524
Synonyms: 1-(4-methylphenyl)-2-phenyl-1H-imidazo[4,5-b]quinoxaline
Smiles: Cc1ccc(cc1)n1c(nc2c1nc1ccccc1n2)c1ccccc1

STK542525
Synonyms: 7-(heptylsulfanyl)-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CCCCCCCSc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK542526
Synonyms: 2-amino-1-(4-ethylphenyl)-N-(prop-2-en-1-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: C=CCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1)CC

STK542527
Synonyms: 3-[(1-phenylethyl)amino]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
Smiles: CCCOc1ccc(cc1)N1C(=O)CC(C1=O)NC(c1ccccc1)C

STK542528
Synonyms: N-(2,4-dimethylphenyl)-10-methyl-11-(3-nitrophenyl)-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Cc1ccc(c(c1)C)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1cccc(c1)[N+](=O)[O-])C)c1ccccc1

STK542529
Synonyms: 4-hydroxy-2-oxo-1-propyl-N-(pyridin-3-yl)-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Smiles: CCCn1c2CCCCc2c(c(c1=O)C(=O)Nc1cccnc1)O

STK542530
Synonyms: 2-[4-(4-methylbenzyl)piperazin-1-yl]-N'-[(1E)-1-(pyridin-3-yl)ethylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)C)N/N=C(/c1cccnc1)\C

STK542531
Synonyms: N-(3-methylphenyl)-2-{[3-(3-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCCC3

STK542532
Synonyms: (4-chlorophenyl)[3-(4-chlorophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
Smiles: Clc1ccc(cc1)C1=NN(C(C1)c1ccco1)C(=O)c1ccc(cc1)Cl

STK542533
Synonyms: 1-amino-N-(diphenylmethyl)-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)NC(c1ccccc1)c1ccccc1

STK542534
Synonyms: (4-bromophenyl)[3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
Smiles: Brc1ccc(cc1)C1=NN(C(C1)c1ccco1)C(=O)c1ccc(cc1)Br

STK542535
Synonyms: 3-(2-methoxybenzyl)-11-(4-methoxybenzyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: COc1ccc(cc1)Cn1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)Cc1ccccc1OC

STK542537
Synonyms: N-benzyl-2-{[3-(4-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)CCCCC3)NCc1ccccc1

STK542538
Synonyms: N,N-diethyl-2-{[8-(3-methylphenyl)-7-oxo-5,6,7,8-tetrahydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-9-yl]sulfanyl}acetamide
Smiles: CCN(C(=O)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CCc1c3cccc1)CC

STK542539
Synonyms: (4E)-4-[(4-butoxy-3-methylphenyl)(hydroxy)methylidene]-5-(4-fluorophenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Smiles: CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)F)Cc1cccnc1)/O

STK542540
Synonyms: 2,3,4,5-tetrafluoro-N'-[(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)acetyl]benzohydrazide
Smiles: O=C(CN1CCn2c3C1CCCc3c1c2ccc(c1)C)NNC(=O)c1cc(F)c(c(c1F)F)F

STK542541
Synonyms: (6aR,6bS,9aR,10S)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-[(3-nitrophenyl)carbonyl]-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1c1ccccc1C=C2)c1ccc2c(c1)OCCO2)c1cccc(c1)[N+](=O)[O-]

STK542543
Synonyms: N,N-dibutyl-2-{[5-oxo-4-(2-phenylethyl)-7-(propan-2-yl)-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}acetamide
Smiles: CCCCN(C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CC(OC3)C(C)C)CCCC

STK542544
Synonyms: 6-{(2Z)-2-[1-(naphthalen-2-yl)ethylidene]hydrazinyl}[1,2,4]triazolo[4,3-b]pyridazine
Smiles: C/C(=N/Nc1ccc2n(n1)cnn2)/c1ccc2c(c1)cccc2

STK542545
Synonyms: N-(4-bromophenyl)-2-{[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanyl}acetamide
Smiles: N#Cc1ccc(nc1SCC(=O)Nc1ccc(cc1)Br)c1ccc(c(c1)OC)OC

STK542546
Synonyms: N'~1~,N'~7~-bis[(E)-(2,4-dihydroxyphenyl)methylidene]heptanedihydrazide
Smiles: O=C(N/N=C/c1ccc(cc1O)O)CCCCCC(=O)N/N=C/c1ccc(cc1O)O

STK542547
Synonyms: methyl5-chloro-3-[(2-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propanoyl)amino]-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(N1CCN(CC1)C/C=C/c1ccccc1)C)cc(cc2)Cl

STK542548
Synonyms: [3-(4-bromophenyl)-5-(1-methyl-1H-indol-3-yl)-4,5-dihydro-1H-pyrazol-1-yl](phenyl)methanone
Smiles: Brc1ccc(cc1)C1=NN(C(C1)c1cn(c2c1cccc2)C)C(=O)c1ccccc1

STK542549
Synonyms: 3-(2,5-dibromophenyl)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinazolin-4(3H)-one
Smiles: Clc1ccc(c(c1)Cl)/C=C/c1nc2ccccc2c(=O)n1c1cc(Br)ccc1Br

STK542550
Synonyms: 3-benzyl-5-ethyl-5-methyl-2-(prop-2-en-1-ylsulfanyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
Smiles: C=CCSc1nc2c3ccccc3CC(c2c(=O)n1Cc1ccccc1)(C)CC

STK542554
Synonyms: 3,7-bis{[4-(propan-2-yloxy)benzyl]sulfanyl}-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine
Smiles: CC(Oc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c1n2c(SCc2ccc(cc2)OC(C)C)nn1)CCCC3)C

STK542555
Synonyms: (2Z)-2-cyano-N-(2-methoxyphenyl)-2-[5-(3-methylbenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]ethanamide
Smiles: N#C/C(=C\1/SC(C(=O)N1c1ccccc1)Cc1cccc(c1)C)/C(=O)Nc1ccccc1OC

STK542556
Synonyms: 8-fluoro-N-(4-fluorophenyl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-carbothioamide
Smiles: Fc1ccc(cc1)NC(=S)N1CCc2c(C1)c1cc(F)ccc1[nH]2

STK542557
Synonyms: 2,2'-(10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine-3,7-diyldisulfanediyl)bis(N-phenylacetamide)
Smiles: O=C(Nc1ccccc1)CSc1nnc2n1c1sc3c(c1c1n2c(SCC(=O)Nc2ccccc2)nn1)CCCC3

STK542558
Synonyms: 2-amino-1-(3,4-dimethoxyphenyl)-N-(2-methoxybenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: COc1cc(ccc1OC)n1c2nc3ccccc3nc2c(c1N)C(=O)NCc1ccccc1OC

STK542559
Synonyms: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-3-(3-methylphenyl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Cc1cccc(c1)n1c(SCC(=O)c2ccc(cc2)Cl)nc2c(c1=O)c1CC(C)(C)SCc1s2

STK542560
Synonyms: 2-({5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(furan-2-ylmethyl)acetamide
Smiles: O=C(NCc1ccco1)CSc1nnc(n1c1ccccc1)CCCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK542561
Synonyms: (4Z)-4-(1-hydroxyethylidene)-1-[3-(1H-imidazol-1-yl)propyl]-5-[4-(propan-2-yl)phenyl]pyrrolidine-2,3-dione
Smiles: CC(c1ccc(cc1)C1/C(=C(/O)\C)/C(=O)C(=O)N1CCCn1ccnc1)C

STK542564
Synonyms: 11-benzyl-2-ethyl-3-hexyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: CCCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1

STK542565
Synonyms: [3-(4-chlorophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl](3,5-dinitrophenyl)methanone
Smiles: Clc1ccc(cc1)C1=NN(C(C1)c1ccco1)C(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

STK542566
Synonyms: 6,6-dimethyl-2-{[4-(propan-2-yloxy)benzyl]sulfanyl}-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: C=CCn1c(SCc2ccc(cc2)OC(C)C)nc2c(c1=O)c1CC(C)(C)SCc1s2

STK542567
Synonyms: 4-chloro-N-[4-methyl-2-(phenylcarbonyl)phenyl]benzenesulfonamide
Smiles: Cc1ccc(c(c1)C(=O)c1ccccc1)NS(=O)(=O)c1ccc(cc1)Cl

STK542569
Synonyms: (3aS,6aS)-3-(4-bromophenyl)-5-(4-methylphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Smiles: Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C(=NN2c1ccccc1)c1ccc(cc1)Br

STK542571
Synonyms: N-(3-methoxyphenyl)-2-[(4-oxo-3-phenyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCCC3

STK542572
Synonyms: N-{2-[(Z)-2-(3-chlorophenyl)-1-cyanoethenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl}acetamide
Smiles: N#C/C(=C/c1cccc(c1)Cl)/c1sc(c(n1)c1ccc(cc1)C)NC(=O)C

STK542574
Synonyms: methyl7-(3-methylphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Smiles: COC(=O)C1=NNC2(C1)CC(=O)N(C2=O)c1cccc(c1)C

STK542575
Synonyms: N-(diphenylmethyl)-2-{[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}acetamide
Smiles: O=C(NC(c1ccccc1)c1ccccc1)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1

STK542576
Synonyms: 2-(3-chloro-4-methylphenyl)-9-(4-methoxyphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione
Smiles: COc1ccc(cc1)C1N2CCCN2C2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)C

STK542577
Synonyms: 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(8-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone
Smiles: Clc1cccc(c1)N1CCN(CC1)CC(=O)N1CCc2c(C1)c1cc(C)ccc1[nH]2

STK542578
Synonyms: N-(4-bromophenyl)-2-{[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1

STK542579
Synonyms: ethyl4-{2-amino-3-[(4-ethoxyphenyl)carbamoyl]-1H-pyrrolo[2,3-b]quinoxalin-1-yl}benzoate
Smiles: CCOc1ccc(cc1)NC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1)C(=O)OCC

STK542582
Synonyms: 3-benzyl-2-(butylsulfanyl)-6-iodoquinazolin-4(3H)-one
Smiles: CCCCSc1nc2ccc(cc2c(=O)n1Cc1ccccc1)I

STK542584
Synonyms: ethyl4-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]butanoate
Smiles: CCOC(=O)CCCSc1nc(N)c2c(n1)sc1c2CCC1

STK542585
Synonyms: N,N-dibutyl-2-{[6,6-dimethyl-4-oxo-3-(2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: CCCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(OC3)(C)C)CCCC

STK542586
Synonyms: (3aR,6aS)-3-(4-nitrophenyl)-5-[2-(trifluoromethyl)phenyl]-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1C(F)(F)F)ON=C2c1ccc(cc1)[N+](=O)[O-]

STK542587
Synonyms: ethylN-[6-(benzylamino)-7-nitro-2,1,3-benzoxadiazol-4-yl]glycinate
Smiles: CCOC(=O)CNc1cc(NCc2ccccc2)c(c2c1non2)[N+](=O)[O-]

STK542588
Synonyms: diethyl[hydroxy(3,4,5-trimethoxyphenyl)methyl]phosphonate
Smiles: CCOP(=O)(C(c1cc(OC)c(c(c1)OC)OC)O)OCC

STK542589
Synonyms: (2E)-N-({4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}carbamothioyl)-3-(4-methoxyphenyl)prop-2-enamide
Smiles: CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1ccc(cc1)OC

STK542590
Synonyms: 1-benzyl-2-(4-bromophenyl)-5,6-diphenyl-1H-imidazo[1,2-a]imidazole
Smiles: Brc1ccc(cc1)c1cn2c(n1Cc1ccccc1)nc(c2c1ccccc1)c1ccccc1

STK542591
Synonyms: 3,7-bis[(3-nitrophenyl)acetyl]-1,5-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-one
Smiles: O=C(N1CC2(CN(CC(C1)(C2=O)C(C)C)C(=O)Cc1cccc(c1)[N+](=O)[O-])C(C)C)Cc1cccc(c1)[N+](=O)[O-]

STK542594
Synonyms: (3aS,6aS)-5-(4-fluorophenyl)-3-(4-nitrophenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Smiles: Fc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)N(N=C2c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK542595
Synonyms: N'-[(1E)-1-(4-methoxyphenyl)propylidene]pyridine-4-carbohydrazide
Smiles: CC/C(=N\NC(=O)c1ccncc1)/c1ccc(cc1)OC

STK542597
Synonyms: 3-(2,5-dibromophenyl)-2-methylquinazolin-4(3H)-one
Smiles: Brc1ccc(c(c1)n1c(C)nc2c(c1=O)cccc2)Br

STK542598
Synonyms: 2-{[4-amino-6-(propan-2-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: NC(=O)CSc1nc(N)c2c(n1)sc1c2CC(OC1)C(C)C

STK542599
Synonyms: N-(4-methylphenyl)-2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCCC3

STK542600
Synonyms: (5Z)-1-(2,5-dimethoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(cc1N1C(=O)NC(=O)/C(=C/c2cccn2C)/C1=O)OC

STK542601
Synonyms: 4-chloro-N-{1-[1-(2-fluorobenzyl)-1H-benzimidazol-2-yl]ethyl}benzamide
Smiles: Clc1ccc(cc1)C(=O)NC(c1nc2c(n1Cc1ccccc1F)cccc2)C

STK542602
Synonyms: 2-{[6,6-dimethyl-3-(4-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CC(SC3)(C)C

STK542605
Synonyms: 3-bromo-N-(3-butoxyphenyl)-2-oxo-2H-pyran-5-carboxamide
Smiles: CCCCOc1cccc(c1)NC(=O)c1coc(=O)c(c1)Br

STK542606
Synonyms: 9'-bromo-2'-(naphthalen-1-yl)-4-phenyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCC(CC1)c1ccccc1)c1cccc2c1cccc2

STK542608
Synonyms: 3-benzyl-11-(4-bromophenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: Brc1ccc(cc1)n1c2ncn(c(=O)c2c2c1nc1ccccc1n2)Cc1ccccc1

STK542609
Synonyms: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-iodo-3-(3-methylphenyl)quinazolin-4(3H)-one
Smiles: Cc1cccc(c1)n1c(SCC(=O)c2ccc(cc2)Cl)nc2c(c1=O)cc(cc2)I

STK542610
Synonyms: N'-[(E)-anthracen-9-ylmethylidene]-2-(1,3-benzoxazol-2-ylsulfanyl)acetohydrazide
Smiles: O=C(CSc1nc2c(o1)cccc2)N/N=C/c1c2ccccc2cc2c1cccc2

STK542613
Synonyms: (3aR,6aS)-5-(4-fluorophenyl)-3-(4-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Fc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)ON=C2c1ccc(cc1)[N+](=O)[O-]

STK542614
Synonyms: 1-(4-chlorophenyl)-N,4-diphenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Smiles: Clc1ccc(cc1)c1c2CCCCn3c2n(c1C(=S)Nc1ccccc1)cc3c1ccccc1

STK542615
Synonyms: N'-[(E)-(3,5-dichloro-4-hydroxyphenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nnc(s1)C)N/N=C/c1cc(Cl)c(c(c1)Cl)O

STK542616
Synonyms: 7-[(4-chlorobenzyl)oxy]-3-ethyl-4,8-dimethyl-2H-chromen-2-one
Smiles: CCc1c(=O)oc2c(c1C)ccc(c2C)OCc1ccc(cc1)Cl

STK542617
Synonyms: 2-{[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-phenylacetamide
Smiles: O=C(Nc1ccccc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCCC3

STK542619
Synonyms: (2E)-1-[5-(4-bromophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-3-phenylprop-2-en-1-one
Smiles: Brc1ccc(cc1)C1CC(=NN1C(=O)/C=C/c1ccccc1)c1ccccc1

STK542620
Synonyms: 2-(4-chlorobenzyl)-1-hydroxy-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: N#Cc1c(C)c(Cc2ccc(cc2)Cl)c(n2c1nc1c2cccc1)O

STK542622
Synonyms: 2-({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N'-[(E)-(2-methoxynaphthalen-1-yl)methylidene]acetohydrazide
Smiles: COc1ccc2c(c1/C=N/NC(=O)CSc1nnc(s1)SCc1ccccc1Cl)cccc2

STK542623
Synonyms: 2-(4-nitrophenyl)-1-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]quinoxaline
Smiles: [O-][N+](=O)c1ccc(cc1)c1nc2c(n1c1ccc(cc1)C(F)(F)F)nc1c(n2)cccc1

STK542624
Synonyms: (4E)-4-[hydroxy(4-methoxyphenyl)methylidene]-5-[4-(propan-2-yl)phenyl]-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)Cc1ccncc1)/O

STK542625
Synonyms: 2-phenyl-1-azaspiro[5.5]undecan-4-ol
Smiles: OC1CC(NC2(C1)CCCCC2)c1ccccc1

STK542626
Synonyms: 7-benzyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-3-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: Cc1cccc(c1)n1c(SCC(=O)c2ccc(cc2)F)nc2c(c1=O)c1CCN(Cc1s2)Cc1ccccc1

STK542627
Synonyms: 2-[4-(4-chlorobenzyl)piperazin-1-yl]-N'-[(E)-(3-phenoxyphenyl)methylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)Cl)N/N=C/c1cccc(c1)Oc1ccccc1

STK542629
Synonyms: (4E)-5-(4-ethoxy-3-methoxyphenyl)-4-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
Smiles: COCCCN1C(=O)C(=O)/C(=C(\c2ccc(c(c2)C)OC)/O)/C1c1ccc(c(c1)OC)OCC

STK542630
Synonyms: (4E)-4-[hydroxy(4-methoxy-2-methylphenyl)methylidene]-5-(pyridin-4-yl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Smiles: COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)Cc1cccnc1)/O

STK542631
Synonyms: 2-phenyl-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one
Smiles: O=c1n2CCCCCc2nc2c1sc(c2)c1ccccc1

STK542633
Synonyms: N'-[(E)-(4-propoxyphenyl)methylidene]pyrazine-2-carbohydrazide
Smiles: CCCOc1ccc(cc1)/C=N/NC(=O)c1nccnc1

STK542634
Synonyms: 2-[(3-cyclohexyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N,N-diphenylacetamide
Smiles: O=C(N(c1ccccc1)c1ccccc1)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3

STK542635
Synonyms: 3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[2-(2-hydroxyethoxy)ethyl]amino}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: OCCOCCNc1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccccc1Cl

STK542638
Synonyms: 2-[(3,4-dichlorobenzyl)sulfanyl]-3-(2-phenylethyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CC(C1OCc2c(C1)c1c(s2)nc(n(c1=O)CCc1ccccc1)SCc1ccc(c(c1)Cl)Cl)C

STK542639
Synonyms: 6-chloro-2-[5-(furan-2-yl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-phenylquinazoline
Smiles: Cc1ccc(cc1)C1=NN(C(C1)c1ccco1)c1nc2ccc(cc2c(n1)c1ccccc1)Cl

STK542640
Synonyms: N-(diphenylmethyl)-2-[(3,6,6-trimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Smiles: O=C(NC(c1ccccc1)c1ccccc1)CSc1nc2sc3c(c2c(=O)n1C)CC(OC3)(C)C

STK542641
Synonyms: 1-ethyl-6-fluoro-7-{4-[(4-methylphenyl)carbamothioyl]piperazin-1-yl}-4-oxo-1,4-dihydroquinoline-3-carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=S)Nc1ccc(cc1)C)c(c2)F

STK542642
Synonyms: 6-iodo-3-(4-methylphenyl)-2-(propylsulfanyl)quinazolin-4(3H)-one
Smiles: CCCSc1nc2ccc(cc2c(=O)n1c1ccc(cc1)C)I

STK542643
Synonyms: 3-{(Z)-[3-(4-fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[4-(2-hydroxyethyl)piperazin-1-yl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: OCCN1CCN(CC1)c1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccc(cc1)F

STK542644
Synonyms: (3aR,6aS)-3-(4-bromophenyl)-5-(naphthalen-1-yl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Brc1ccc(cc1)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc2c1cccc2

STK542645
Synonyms: (4E)-5-(4-fluorophenyl)-4-[hydroxy(4-methoxyphenyl)methylidene]-1-(pyrimidin-2-yl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)F)c1ncccn1)/O

STK542648
Synonyms: 2-{[5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(Z)-(3-phenoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(ccc1OC)c1nnc(n1CC)SCC(=O)N/N=C\c1cccc(c1)Oc1ccccc1

STK542650
Synonyms: (6aR,6bS,9aR,10S)-8-(3-fluorophenyl)-10-[(4-methoxyphenyl)carbonyl]-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: COc1ccc(cc1)C(=O)[C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1cccc(c1)F)C=Cc1c2cccc1

STK542651
Synonyms: (5Z)-5-{3-bromo-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxybenzylidene}-2-imino-1,3-thiazolidin-4-one
Smiles: COc1cc(/C=C/2\SC(=N)NC2=O)cc(c1OCCOc1ccc(cc1)C1CCCCC1)Br

STK542652
Synonyms: N-benzyl-1-(4-bromophenyl)-2-{[(4-methylphenyl)sulfonyl]amino}-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: Brc1ccc(cc1)n1c2nc3ccccc3nc2c(c1NS(=O)(=O)c1ccc(cc1)C)C(=O)NCc1ccccc1

STK542653
Synonyms: 2-(4-chloro-3-fluorophenyl)-9-(4-methoxyphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione
Smiles: COc1ccc(cc1)C1N2CCCN2C2C1C(=O)N(C2=O)c1ccc(c(c1)F)Cl

STK542654
Synonyms: 2-{[5-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoicacid
Smiles: CCOC(=O)C1(C)C=C(C(=O)N1c1ccccc1)Nc1ccccc1C(=O)O

STK542655
Synonyms: (2-chlorophenyl)[3-(4-chlorophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
Smiles: Clc1ccc(cc1)C1=NN(C(C1)c1ccco1)C(=O)c1ccccc1Cl

STK542656
Synonyms: 11-(2-fluorophenyl)-N-(3-methoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1cccc(c1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccccc1F)C)c1ccccc1

STK542657
Synonyms: 2-[(4-oxo-3-phenyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
Smiles: O=C(CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCCC3)NCCc1ccccc1

STK542659
Synonyms: 11-(3-bromophenyl)-N-(2,3-dimethylphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Brc1cccc(c1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1cccc(c1C)C)c1ccccc1

STK542660
Synonyms: N-(3-methylphenyl)-2-[(4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)sulfanyl]acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK542662
Synonyms: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-iodo-3-(2-methylphenyl)quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)C(=O)CSc1nc2ccc(cc2c(=O)n1c1ccccc1C)I

STK542663
Synonyms: (8S,8aR,11aS)-10-(4-acetylphenyl)-N-(4-chlorophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)C(=O)C)cccc3

STK542664
Synonyms: 9-(3-methoxyphenyl)-2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(9H)-one
Smiles: COc1cccc(c1)n1cnc2c(c1=O)sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK542665
Synonyms: [5-(2-chloro-7-methoxyquinolin-3-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl](phenyl)methanone
Smiles: COc1ccc2c(c1)nc(c(c2)C1CC(=NN1C(=O)c1ccccc1)c1ccc(c(c1)OC)OC)Cl

STK542666
Synonyms: (1'R,2'S,3R)-1'-acetyl-2'-[(4-chlorophenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: Clc1ccc(cc1)C(=O)[C@@H]1[C@H](C(=O)C)N2C([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1

STK542667
Synonyms: 2-[(3-ethyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N,N-diphenylacetamide
Smiles: CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nc2c(c1=O)c1CCCCc1s2

STK542668
Synonyms: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodo-3-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)n1c(/C=C/c2ccc3c(c2)OCO3)nc2c(c1=O)cc(cc2)I

STK542669
Synonyms: (4E)-4-{hydroxy[3-methyl-4-(2-methylpropoxy)phenyl]methylidene}-1-(3-methoxypropyl)-5-phenylpyrrolidine-2,3-dione
Smiles: COCCCN1C(c2ccccc2)/C(=C(/c2ccc(c(c2)C)OCC(C)C)\O)/C(=O)C1=O

STK542670
Synonyms: (2E)-1-[5-(2,3-dimethoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-3-phenylprop-2-en-1-one
Smiles: COc1c(OC)cccc1C1CC(=NN1C(=O)/C=C/c1ccccc1)c1ccc(cc1)C

STK542671
Synonyms: 2-(benzylsulfanyl)-3-(2-phenylethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: O=c1c2c(sc3c2CCCC3)nc(n1CCc1ccccc1)SCc1ccccc1

STK542672
Synonyms: 4-[(8S,8aR,11aS)-8-[(4-chlorophenyl)carbamoyl]-9,11-dioxo-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-10(11H)-yl]phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)Nc2ccc(cc2)Cl)C=Cc2c1cccc2

STK542673
Synonyms: 2,8-dimethyl-3-{[(E)-(3,4,5-trimethoxyphenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1cc(/C=N/n2c(C)nc3c(c2=O)[nH]c2c3cc(cc2)C)cc(c1OC)OC

STK542674
Synonyms: (6aR,6bS,9aR,10S)-8-(1,3-benzodioxol-5-yl)-N-(4-chlorophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc3c(c1)OCO3)C=Cc1c2cccc1

STK542677
Synonyms: N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-(3-hydroxypropyl)propanamide
Smiles: OCCCN(C1CC(=O)N(C1=O)c1ccc(cc1)OCCC)C(=O)CC

STK542679
Synonyms: N-(2,3-dimethylphenyl)-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(Nc2cccc(c2C)C)nc2c1cccc2)c1ccccc1

STK542680
Synonyms: 9-benzyl-2-(3,4-dimethoxyphenyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: COc1cc(ccc1OC)c1nn2c(n1)c1c(nc2)sc2c1CCN(C2)Cc1ccccc1

STK542681
Synonyms: 8-(benzylsulfanyl)-7-hexyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCn1c(SCc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK542682
Synonyms: (4E)-5-(4-fluorophenyl)-4-[hydroxy(4-methoxyphenyl)methylidene]-1-[2-(morpholin-4-yl)ethyl]pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)F)CCN1CCOCC1)/O

STK542683
Synonyms: 5-ethyl-2-(hexylsulfanyl)-5-methyl-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
Smiles: CCCCCCSc1nc2c3ccccc3CC(c2c(=O)n1c1ccccc1)(C)CC

STK542684
Synonyms: 6-(furan-2-yl)-4-(4-methoxyphenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
Smiles: N#Cc1c(=O)[nH]c(cc1c1ccc(cc1)OC)c1ccco1

STK542685
Synonyms: 2-[(4-methylbenzyl)sulfanyl]-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: Cc1ccc(cc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCC3

STK542687
Synonyms: benzyl(8R,8aR)-6-amino-5,7,7-tricyano-8-(2,4-difluorophenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccc(cc1F)F)(C#N)C#N

STK542688
Synonyms: (9E)-9-(3-methoxybenzylidene)-5-(3-methoxyphenyl)-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline
Smiles: COc1cccc(c1)C1C2=C(N=c3n1c(cs3)c1ccc(cc1)OC)/C(=C/c1cccc(c1)OC)/CCC2

STK542689
Synonyms: 2-{4-[(4-bromophenyl)sulfonyl]piperazin-1-yl}-N'-{(Z)-[4-(propan-2-yl)phenyl]methylidene}acetohydrazide
Smiles: O=C(CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br)N/N=C\c1ccc(cc1)C(C)C

STK542690
Synonyms: (4Z)-5-(4-fluorophenyl)-1-hexyl-4-(1-hydroxyethylidene)pyrrolidine-2,3-dione
Smiles: CCCCCCN1C(c2ccc(cc2)F)/C(=C(/O)\C)/C(=O)C1=O

STK542691
Synonyms: 2-{[6,6-dimethyl-3-(4-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-phenylacetamide
Smiles: O=C(Nc1ccccc1)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CC(SC3)(C)C

STK542692
Synonyms: (4Z)-5-(2,4-dichlorophenyl)-4-(1-hydroxyethylidene)-1-[3-(morpholin-4-yl)propyl]pyrrolidine-2,3-dione
Smiles: Clc1ccc(c(c1)Cl)C1N(CCCN2CCOCC2)C(=O)C(=O)/C/1=C(\O)/C

STK542693
Synonyms: (2Z)-N-(3-chlorophenyl)-2-cyano-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(c1)Cl

STK542694
Synonyms: (3aR,4S,9aR,9bS)-2-(naphthalen-2-yl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile
Smiles: N#CC1=C[C@H]2N(C=C1)[C@@H]([C@H]1[C@@H]2C(=O)N(C1=O)c1ccc2c(c1)cccc2)C(=O)c1ccccc1

STK542695
Synonyms: (3aS,6aS)-5-(2-methoxy-5-nitrophenyl)-3-(4-nitrophenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Smiles: COc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)N(N=C2c1ccc(cc1)[N+](=O)[O-])c1ccccc1)[N+](=O)[O-]