Chemical compounds for High-Throughput screening and
Building Blocks for Combinatorial chemistry

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STK842674
Synonyms: 3- amino- N- (3,4- dimethylphenyl)- 4- (thiophen- 2- yl)- 6,7- dihydro- 5H- cyclopenta[b]thieno[3,2- e]pyridine- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)c(c1cccs1)c1c(n2)CCC1)Nc1ccc(c(c1)C)C

STK546249
Synonyms: 3- (dimethylcarbamoyl)- 2- (iodomethyl)- 1,2- dimethylcyclopentanecarboxylicacid
Smiles: ICC1(C)C(CCC1(C)C(=O)O)C(=O)N(C)C

STK546254
Synonyms: 4- acetyl- 3- hydroxy- 5- (3- methoxyphenyl)- 1- (2- phenylethyl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: COc1cccc(c1)C1N(CCc2ccccc2)C(=O)C(=C1C(=O)C)O

STK546264
Synonyms: propan- 2- yl[3- (4- benzylpiperazin- 1- yl)quinoxalin- 2- yl](cyano)acetate
Smiles: N#CC(c1nc2ccccc2nc1N1CCN(CC1)Cc1ccccc1)C(=O)OC(C)C

STK842680
Synonyms: 2- amino- 5- oxo- 5,6,7,8- tetrahydrodispiro[chromene- 4,1'- cyclohexane- 4',2''- [1,3]dioxolane]- 3- carbonitrile
Smiles: N#CC1=C(N)OC2=C(C31CCC1(CC3)OCCO1)C(=O)CCC2

STK546267
Synonyms: 2- (dimethylamino)ethyl{4- methyl- 2- [(phenylsulfonyl)amino]- 1,3- thiazol- 5- yl}carbamate
Smiles: CN(CCOC(=O)Nc1sc(nc1C)NS(=O)(=O)c1ccccc1)C

STK546272
Synonyms: methyl5- bromo- 6- oxo- 1- (pyridin- 4- ylmethyl)- 1,6- dihydropyridine- 3- carboxylate
Smiles: COC(=O)c1cn(Cc2ccncc2)c(=O)c(c1)Br

STK842687
Synonyms: N- (4- bromophenyl)- 2- [4- (4- chlorophenyl)- 1- oxophthalazin- 2(1H)- yl]acetamide
Smiles: Clc1ccc(cc1)c1nn(CC(=O)Nc2ccc(cc2)Br)c(=O)c2c1cccc2

STK546278
Synonyms: 11- (3,4- dimethylphenyl)- 3- (1- phenylethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: Cc1ccc(cc1C)n1c2ncn(c(=O)c2c2c1nc1ccccc1n2)C(c1ccccc1)C

STK546280
Synonyms: (5Z)- 3- [4- (diethylamino)phenyl]- 5- [4- (octyloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)N(CC)CC

STK546282
Synonyms: (5Z)- 2- [(3,5- dichlorophenyl)amino]- 5- [4- (prop- 2- en- 1- yloxy)benzylidene]- 1,3- thiazol- 4(5H)- one
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=NC1=O)Nc1cc(Cl)cc(c1)Cl

STK546288
Synonyms: (2E)- 2- {[8- (benzyloxy)quinolin- 2- yl]methylidene}hydrazinecarboximidamide
Smiles: NC(=N)N/N=C/c1ccc2c(n1)c(ccc2)OCc1ccccc1

STK546289
Synonyms: methyl2- (acetylamino)- 3,3,3- trifluoro- N- (4,5,6,7- tetrahydro- 1,3- benzothiazol- 2- yl)alaninate
Smiles: COC(=O)C(C(F)(F)F)(Nc1nc2c(s1)CCCC2)NC(=O)C

STK842691
Synonyms: 2- (4- {[4- (4- ethoxyphenyl)phthalazin- 1- yl]amino}phenoxy)acetamide
Smiles: CCOc1ccc(cc1)c1nnc(c2c1cccc2)Nc1ccc(cc1)OCC(=O)N

STK842692
Synonyms: 2- amino- 4- (4- chlorophenyl)- 6- {[2- oxo- 2- (2- oxo- 2H- chromen- 3- yl)ethyl]sulfanyl}pyridine- 3,5- dicarbonitrile
Smiles: N#Cc1c(SCC(=O)c2cc3ccccc3oc2=O)nc(c(c1c1ccc(cc1)Cl)C#N)N

STK842693
Synonyms: di- tert- butyl4- hydroxy- 2- (4- hydroxyphenyl)- 4- methyl- 6- oxocyclohexane- 1,3- dicarboxylate
Smiles: Oc1ccc(cc1)C1C(C(=O)OC(C)(C)C)C(=O)CC(C1C(=O)OC(C)(C)C)(C)O

STK842694
Synonyms: 2- methyl- 5- (3- methyl- 4- oxo- 3,4- dihydrophthalazin- 1- yl)benzenesulfonamide
Smiles: Cc1ccc(cc1S(=O)(=O)N)c1nn(C)c(=O)c2c1cccc2

STK546298
Synonyms: 2- [(5Z)- 5- (4- fluorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]butanoicacid
Smiles: CCC(N1C(=S)S/C(=C\c2ccc(cc2)F)/C1=O)C(=O)O

STK546300
Synonyms: prop- 2- en- 1- yl4- [4- (benzyloxy)- 3- methoxyphenyl]- 5- cyano- 2- methyl- 6- {[2- oxo- 2- (1,3- thiazol- 2- ylamino)ethyl]sulfanyl}- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)OCc1ccccc1)C#N)SCC(=O)Nc1nccs1

STK842697
Synonyms: 3- amino- 5- oxo- N,N- diphenyl- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)cc1c(n2)CCCC1=O)N(c1ccccc1)c1ccccc1

STK546313
Synonyms: methyl2- (2,4- dichlorophenyl)- 6- (dimethylamino)- 4- (trifluoromethyl)- 4H- 1,3,5- oxadiazine- 4- carboxylate
Smiles: COC(=O)C1(N=C(OC(=N1)c1ccc(cc1Cl)Cl)N(C)C)C(F)(F)F

STK546317
Synonyms: [(2- phenyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl)sulfanyl]aceticacid
Smiles: OC(=O)CSc1nc(nc2c1c1CCCCc1s2)c1ccccc1

STK842700
Synonyms: ethyl7,8- dichloro- 4- [(2- hydroxyethyl)amino]quinoline- 3- carboxylate
Smiles: CCOC(=O)c1cnc2c(c1NCCO)ccc(c2Cl)Cl

STK546328
Synonyms: N- [(5Z)- 5- (2,4- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 4- nitrobenzamide
Smiles: COc1ccc(c(c1)OC)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)[N+](=O)[O-]

STK546331
Synonyms: 1- (3- butoxypropyl)- 3- [(4- chlorophenyl)sulfonyl]- 1H- pyrrolo[2,3- b]quinoxalin- 2- amine
Smiles: CCCCOCCCn1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccc(cc1)Cl

STK546337
Synonyms: 1- (1H- benzimidazol- 2- ylmethoxy)- 3- (4- chlorophenyl)quinoxalin- 2(1H)- one4- oxide
Smiles: Clc1ccc(cc1)c1c(=O)n(OCc2nc3c([nH]2)cccc3)c2c([n+]1[O-])cccc2

STK842705
Synonyms: N,2- diphenylindolizine- 3- carbothioamide
Smiles: S=C(c1c(cc2n1cccc2)c1ccccc1)Nc1ccccc1

STK546343
Synonyms: 5- [(2E)- 2- (4- methoxy- 3- nitrobenzylidene)hydrazinyl]- 6- methyl- 1,2,4- triazin- 3(2H)- one
Smiles: COc1ccc(cc1[N+](=O)[O-])/C=N/Nc1nc(=O)[nH]nc1C

STK842709
Synonyms: 1- (butan- 2- yl)- 4,6- dimethyl- 1H- pyrazolo[3,4- b]pyridin- 3- ol
Smiles: CCC(n1nc(c2c1nc(C)cc2C)O)C

STK546346
Synonyms: 3- (2,3- dimethoxyphenyl)- 5- imino- 1,7- dimethyl- 2,6- dioxabicyclo[2.2.2]octane- 4,8,8- tricarbonitrile
Smiles: N#CC12C(=N)OC(OC1c1cccc(c1OC)OC)(C(C2(C#N)C#N)C)C

STK546351
Synonyms: 4- (methylsulfanyl)- 2- {(5Z)- 5- [4- (octyloxy)benzylidene]- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl}butanoicacid
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)C(C(=O)O)CCSC

STK546352
Synonyms: (3aR,4S,9aR,9bS)- 2- (4- chlorophenyl)- 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)c1ccc(cc1)Cl)C(=O)c1ccccc1

STK842712
Synonyms: {4- amino- 2- [(2- fluorophenyl)amino]- 1,3- thiazol- 5- yl}(4- methoxyphenyl)methanone
Smiles: COc1ccc(cc1)C(=O)c1sc(nc1N)Nc1ccccc1F

STK546355
Synonyms: N- [3- cyano- 1- (4- methoxybenzyl)- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl]naphthalene- 2- sulfonamide
Smiles: COc1ccc(cc1)Cn1c2nc3ccccc3nc2c(c1NS(=O)(=O)c1ccc2c(c1)cccc2)C#N

STK842715
Synonyms: 2- [(2- ethyl- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl)sulfanyl]- N- (4- methoxyphenyl)acetamide
Smiles: CCc1nc(SCC(=O)Nc2ccc(cc2)OC)c2c(n1)sc1c2CC(OC1)(C)C

STK842719
Synonyms: 2- {[3- cyano- 4- (2- methoxyphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- [2- (trifluoromethyl)phenyl]acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2C(F)(F)F)NC(=O)CC1c1ccccc1OC

STK546360
Synonyms: 2- chloro- N- {2- [(4- methoxyphenyl)carbonyl]- 1- benzofuran- 3- yl}acetamide
Smiles: ClCC(=O)Nc1c(oc2c1cccc2)C(=O)c1ccc(cc1)OC

STK842722
Synonyms: N- (4- methoxyphenyl)- 4,6- dimethylquinolin- 2- amine
Smiles: COc1ccc(cc1)Nc1cc(C)c2c(n1)ccc(c2)C

STK546368
Synonyms: 1- (1H- benzimidazol- 2- ylmethoxy)- 3- (3- nitrophenyl)quinoxalin- 2(1H)- one4- oxide
Smiles: [O-][N+](=O)c1cccc(c1)c1c(=O)n(OCc2nc3c([nH]2)cccc3)c2c([n+]1[O-])cccc2

STK842723
Synonyms: (2E)- (1- methyl- 1H- benzimidazol- 2- yl){[(phenylcarbonyl)oxy]imino}ethanenitrile
Smiles: N#C/C(=N\OC(=O)c1ccccc1)/c1nc2c(n1C)cccc2

STK546372
Synonyms: 2- ethyl- 4- (ethylsulfanyl)- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCSc1nc(CC)nc2c1c1CC(C)(C)OCc1s2

STK546374
Synonyms: 2- {[3- cyano- 4- (2- fluorophenyl)- 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(C1c1ccccc1F)C(=O)CCC2

STK842726
Synonyms: N- (4- methylphenyl)- 2- (4- nitrophenyl)quinazolin- 4- amine
Smiles: Cc1ccc(cc1)Nc1nc(nc2c1cccc2)c1ccc(cc1)[N+](=O)[O-]

STK842731
Synonyms: 2,2'- (methanediyldisulfanediyl)bis(4,6- dimethylpyrimidine)
Smiles: Cc1nc(SCSc2nc(C)cc(n2)C)nc(c1)C

STK546384
Synonyms: 3- (4- benzylpiperazin- 1- yl)- 4- chloro- 1- (4- methylphenyl)- 1H- pyrrole- 2,5- dione
Smiles: Cc1ccc(cc1)N1C(=O)C(=C(C1=O)Cl)N1CCN(CC1)Cc1ccccc1

STK546395
Synonyms: 3- propyl- 2- (propylsulfanyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CCCn1c(SCCC)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK842736
Synonyms: propyl{[3- (2- methoxyphenyl)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- yl]oxy}acetate
Smiles: CCCOC(=O)COc1ccc2c(c1)oc(c(c2=O)c1ccccc1OC)C(F)(F)F

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

STK548203
Synonyms: 1- methoxypropan- 2- yl2- amino- 1- (4- methoxybenzyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: COCC(OC(=O)c1c2nc3ccccc3nc2n(c1N)Cc1ccc(cc1)OC)C

STK843482
Synonyms: 2- {[3- cyano- 4- (2- fluorophenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2c(C)n(n(c2=O)c2ccccc2)C)NC(=O)CC1c1ccccc1F

STK548210
Synonyms: 2- (4H- 1,3- benzodioxin- 2- yl)- 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: CC1(C)OCc2c(C1)c1c(s2)ncn2c1nc(n2)C1OCc2c(O1)cccc2

STK843488
Synonyms: N- (3- methoxypropyl)- 7- methyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- amine
Smiles: COCCCNc1ncnc2c1c1CCC(Cc1s2)C

STK548221
Synonyms: 2- {[3- (4- methylphenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}- N,N- diphenylacetamide
Smiles: Cc1ccc(cc1)n1c(SCC(=O)N(c2ccccc2)c2ccccc2)nc2c(c1=O)cccc2

STK548223
Synonyms: (5Z)- 3- (2- ethoxyphenyl)- 5- (4- fluorobenzylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCOc1ccccc1N1C(=S)S/C(=C\c2ccc(cc2)F)/C1=O

STK843491
Synonyms: 5- (furan- 2- yl)- 3- (4- methylphenyl)- 1- (propylsulfonyl)- 4,5- dihydro- 1H- pyrazole
Smiles: CCCS(=O)(=O)N1N=C(CC1c1ccco1)c1ccc(cc1)C

STK548229
Synonyms: 2- {4- phenyl- 3- [4- (propan- 2- yloxy)phenyl]butyl}- 1H- isoindole- 1,3(2H)- dione
Smiles: CC(Oc1ccc(cc1)C(Cc1ccccc1)CCN1C(=O)c2c(C1=O)cccc2)C

STK843495
Synonyms: 4- (3,4- dimethylphenoxy)- 2- (2- fluorophenyl)quinazoline
Smiles: Fc1ccccc1c1nc(Oc2ccc(c(c2)C)C)c2c(n1)cccc2

STK548234
Synonyms: (2E)- 2- cyano- 3- [4- (propan- 2- yl)phenyl]- N- [5- (propan- 2- yl)- 1,3,4- thiadiazol- 2- yl]prop- 2- enamide
Smiles: N#C/C(=C\c1ccc(cc1)C(C)C)/C(=O)Nc1nnc(s1)C(C)C

STK548235
Synonyms: N- [(5Z)- 5- (4- ethoxy- 3- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 3- nitrobenzamide
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=S)N(C1=O)NC(=O)c1cccc(c1)[N+](=O)[O-]

STK843496
Synonyms: [3- amino- 4- (thiophen- 2- yl)- 6,7,8,9- tetrahydro- 5H- cyclohepta[b]thieno[3,2- e]pyridin- 2- yl](phenyl)methanone
Smiles: O=C(c1sc2c(c1N)c(c1cccs1)c1c(n2)CCCCC1)c1ccccc1

STK548239
Synonyms: N- {(5Z)- 5- [4- (octyloxy)benzylidene]- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl}benzamide
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1

STK548241
Synonyms: 5- (4- chlorophenyl)- 3- hydroxy- 1- (3- hydroxypropyl)- 4- [(4- methylphenyl)carbonyl]- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: OCCCN1C(=O)C(=C(C1c1ccc(cc1)Cl)C(=O)c1ccc(cc1)C)O

STK548244
Synonyms: 2- oxo- N- [2- (trifluoromethyl)phenyl]- 2H- pyran- 5- carboxamide
Smiles: O=c1ccc(co1)C(=O)Nc1ccccc1C(F)(F)F

STK548246
Synonyms: 4- nitro- N- [(5Z)- 4- oxo- 5- (pyridin- 3- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: S=C1S/C(=C\c2cccnc2)/C(=O)N1NC(=O)c1ccc(cc1)[N+](=O)[O-]

STK548250
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- {(E)- [5- chloro- 2- (naphthalen- 1- ylmethoxy)phenyl]methylidene}- 5- [(4- methylpiperidin- 1- yl)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CC1CCN(CC1)Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1cc(Cl)ccc1OCc1cccc2c1cccc2

STK548256
Synonyms: 2,6- dimethylphenylphenylmethanesulfonate
Smiles: Cc1cccc(c1OS(=O)(=O)Cc1ccccc1)C

STK548262
Synonyms: 6- ({2- [(3- chlorophenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- N- (2- methoxyphenyl)- 2- methyl- 4- (5- methylfuran- 2- yl)- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)Cl)NC(=C(C1c1ccc(o1)C)C(=O)Nc1ccccc1OC)C

STK843506
Synonyms: 3- amino- N- (2- ethylphenyl)- 4- (thiophen- 2- yl)- 6,7- dihydro- 5H- cyclopenta[b]thieno[3,2- e]pyridine- 2- carboxamide
Smiles: CCc1ccccc1NC(=O)c1sc2c(c1N)c(c1cccs1)c1c(n2)CCC1

STK843507
Synonyms: 3- amino- N- (furan- 2- ylmethyl)- 7,7- dimethyl- 5- oxo- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)cc1c(n2)CC(CC1=O)(C)C)NCc1ccco1

STK843508
Synonyms: 2- (4- methyl- 1- oxophthalazin- 2(1H)- yl)- N- (1- phenylethyl)acetamide
Smiles: O=C(Cn1nc(C)c2c(c1=O)cccc2)NC(c1ccccc1)C

STK843509
Synonyms: 7- benzyl- 8- [(3- hydroxypropyl)amino]- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OCCCNc1nc2c(n1Cc1ccccc1)c(=O)[nH]c(=O)n2C

STK548282
Synonyms: N- [(5Z)- 5- (1H- indol- 3- ylmethylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 2- methoxybenzamide
Smiles: COc1ccccc1C(=O)NN1C(=S)S/C(=C\c2c[nH]c3c2cccc3)/C1=O

STK843512
Synonyms: 3- amino- N- (3- chloro- 2- methylphenyl)- 4- (furan- 2- yl)- 6,7,8,9- tetrahydro- 5H- cyclohepta[b]thieno[3,2- e]pyridine- 2- carboxamide
Smiles: Clc1cccc(c1C)NC(=O)c1sc2c(c1N)c(c1ccco1)c1c(n2)CCCCC1

STK548285
Synonyms: 3- (2,5- dibromophenyl)- 2- [(E)- 2- (pyridin- 3- yl)ethenyl]quinazolin- 4(3H)- one
Smiles: Brc1ccc(c(c1)n1c(/C=C/c2cccnc2)nc2c(c1=O)cccc2)Br

STK548287
Synonyms: 4- methyl- N- {(5Z)- 4- oxo- 5- [4- (prop- 2- en- 1- yloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 3- yl}benzamide
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)C

STK843513
Synonyms: 2- ({2- [(4- chlorophenyl)sulfonyl]ethyl}sulfanyl)- 4,6- dimethylpyridine- 3- carbonitrile
Smiles: N#Cc1c(C)cc(nc1SCCS(=O)(=O)c1ccc(cc1)Cl)C

STK843516
Synonyms: methyl3- {[2,4- dioxo- 5- (phenylamino)- 1,3- thiazolidin- 3- yl]methyl}benzoate
Smiles: COC(=O)c1cccc(c1)CN1C(=O)SC(C1=O)Nc1ccccc1

STK843518
Synonyms: 5- bromo- 2,3,4- trimethyl- N- [3- (morpholin- 4- yl)propyl]benzamide
Smiles: O=C(c1cc(Br)c(c(c1C)C)C)NCCCN1CCOCC1

STK548298
Synonyms: ethyl5- fluoro- 3- {[(2,4,5- trimethylphenyl)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1cc(C)c(cc1C)C)cc(cc2)F

STK548303
Synonyms: 5- methyl- 2- (propan- 2- yl)cyclohexyl[4- (dimethylamino)phenyl][hydroxy(4- methylphenyl)methyl]phosphinate
Smiles: CC1CCC(C(C1)OP(=O)(C(c1ccc(cc1)C)O)c1ccc(cc1)N(C)C)C(C)C

STK548308
Synonyms: 2- imino- 1- (4- methoxybenzyl)- N- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: CNC(=O)c1cc2c(n(c1=N)Cc1ccc(cc1)OC)nc1n(c2=O)cccc1

STK843527
Synonyms: 2- [4- (4- chlorophenyl)- 1- oxophthalazin- 2(1H)- yl]acetamide
Smiles: NC(=O)Cn1nc(c2ccc(cc2)Cl)c2c(c1=O)cccc2

STK548317
Synonyms: 3- {(5Z)- 4- oxo- 5- [4- (prop- 2- en- 1- yloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 3- yl}benzoicacid
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1cccc(c1)C(=O)O

STK548319
Synonyms: butylcyano[3- (4- phenylpiperazin- 1- yl)quinoxalin- 2- yl]acetate
Smiles: CCCCOC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)c1ccccc1)C#N

STK843528
Synonyms: 6- methyl- 2- phenylquinolin- 4- ol
Smiles: Cc1ccc2c(c1)c(O)cc(n2)c1ccccc1

STK548320
Synonyms: 2- amino- 4- (cyclohex- 2- en- 1- yl)- 5- oxo- 6a,10a- dihydro- 4H,5H- pyrano[3,2- c]chromene- 3- carbonitrile
Smiles: N#CC1=C(N)OC2=C(C1C1CCCC=C1)C(=O)OC1C2C=CC=C1

STK548321
Synonyms: methyl6- ({2- [(3- chlorophenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 4- (4- methoxyphenyl)- 2- oxo- 1,2,3,4- tetrahydropyridine- 3- carboxylate
Smiles: COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)OC)C#N)SCC(=O)Nc1cccc(c1)Cl

STK548326
Synonyms: 4- (1,3- dioxooctahydro- 2H- isoindol- 2- yl)cyclohexanecarboxylicacid
Smiles: OC(=O)C1CCC(CC1)N1C(=O)C2C(C1=O)CCCC2

STK843532
Synonyms: biphenyl- 2,5- dicarboxamide
Smiles: NC(=O)c1ccc(c(c1)c1ccccc1)C(=O)N

STK548328
Synonyms: 4- [(7- methyl- 4- oxo- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 3(4H)- yl)methyl]benzoicacid
Smiles: CC1CCc2c(C1)sc1c2c(=O)n(cn1)Cc1ccc(cc1)C(=O)O

STK843534
Synonyms: 4- (naphthalen- 1- yl)- 5- (thiophen- 2- yl)- 4H- 1,2,4- triazole- 3- thiol
Smiles: Sc1nnc(n1c1cccc2c1cccc2)c1cccs1

STK548340
Synonyms: ({[(benzyloxy)carbonyl]amino}methyl)[2- (ethoxycarbonyl)- 4- methylpentyl]phosphinicacid
Smiles: CCOC(=O)C(CP(=O)(CNC(=O)OCc1ccccc1)O)CC(C)C

STK843539
Synonyms: 1- [(2E)- 5- (2- chlorobenzyl)- 4- oxo- 1,3- thiazolidin- 2- ylidene]guanidine
Smiles: O=C1N/C(=N\C(=N)N)/SC1Cc1ccccc1Cl

STK548347
Synonyms: [(2E)- 2- {(2E)- [(5- chloro- 3- methyl- 1- phenyl- 1H- pyrazol- 4- yl)methylidene]hydrazinylidene}- 4- oxo- 1,3- thiazolidin- 5- yl]aceticacid
Smiles: OC(=O)CC1S/C(=N/N=C/c2c(C)nn(c2Cl)c2ccccc2)/NC1=O

STK843542
Synonyms: 3- (2- hydroxyphenyl)- 5- (4- methoxyphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccccc1O

STK843543
Synonyms: N,N,2- trimethyl- 1H- benzimidazole- 1- carboxamide
Smiles: CN(C(=O)n1c(C)nc2c1cccc2)C

STK548353
Synonyms: 4- bromo- N- {[3- (pyridin- 3- yl)piperidin- 1- yl]carbonothioyl}benzamide
Smiles: Brc1ccc(cc1)C(=O)NC(=S)N1CCCC(C1)c1cccnc1

STK548360
Synonyms: (5Z)- 5- (2,4- dimethoxybenzylidene)- 3- (phenylamino)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1cc(OC)ccc1/C=C/1\SC(=S)N(C1=O)Nc1ccccc1

STK548363
Synonyms: 4- {[3- (1H- benzotriazol- 1- yl)- 1,4- dioxo- 1,4- dihydronaphthalen- 2- yl]amino}- 2- hydroxybenzoicacid
Smiles: O=C1c2ccccc2C(=O)C(=C1Nc1ccc(c(c1)O)C(=O)O)n1nnc2c1cccc2

STK548364
Synonyms: 2- (5- bromo- 2- methoxyphenyl)- 1H- phenanthro[9,10- d]imidazole
Smiles: COc1ccc(cc1c1nc2c([nH]1)c1ccccc1c1c2cccc1)Br

STK843548
Synonyms: 3- amino- N- (1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)- 7,7- dimethyl- 5- oxo- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)cc1c(n2)CC(CC1=O)(C)C)Nc1c(C)n(n(c1=O)c1ccccc1)C

STK548369
Synonyms: 1- ethyl- 3- nitro- 4- [4- (pyridin- 2- yl)piperazin- 1- yl]quinolin- 2(1H)- one
Smiles: CCn1c2ccccc2c(c(c1=O)[N+](=O)[O-])N1CCN(CC1)c1ccccn1

STK548371
Synonyms: 6- hydroxy- 3- phenyl- 5- (1,2,3,4- tetrahydroisoquinolin- 1- yl)pyrimidine- 2,4(1H,3H)- dione
Smiles: Oc1[nH]c(=O)n(c(=O)c1C1NCCc2c1cccc2)c1ccccc1

STK548372
Synonyms: 2- {(5Z)- 5- [4- (octyloxy)benzylidene]- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl}- 3- phenylpropanoicacid
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)C(C(=O)O)Cc1ccccc1

STK548374
Synonyms: 2,7- bis(2,5- dimethoxyphenyl)benzo[lmn][3,8]phenanthroline- 1,3,6,8(2H,7H)- tetrone
Smiles: COc1ccc(cc1n1c(=O)c2ccc3c4c2c(c1=O)ccc4c(=O)n(c3=O)c1cc(OC)ccc1OC)OC

STK843549
Synonyms: 3- amino- 4- (4- methylphenyl)- N- (1,3- thiazol- 2- yl)- 6,7,8,9- tetrahydro- 5H- cyclohepta[b]thieno[3,2- e]pyridine- 2- carboxamide
Smiles: Cc1ccc(cc1)c1c2CCCCCc2nc2c1c(N)c(s2)C(=O)Nc1nccs1

STK548380
Synonyms: 2- (3- bromo- 4- methoxyphenyl)- 1H- phenanthro[9,10- d]imidazole
Smiles: COc1ccc(cc1Br)c1nc2c([nH]1)c1ccccc1c1c2cccc1

STK548399
Synonyms: (5Z)- 5- (4- fluorobenzylidene)- 3- (naphthalen- 2- yl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: Fc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1ccc2c(c1)cccc2

STK548403
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {4- methoxy- 3- [(3- methyl- 4- nitrophenoxy)methyl]phenyl}methylidene]- 5- [(4- methylpiperazin- 1- yl)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1ccc(cc1COc1ccc(c(c1)C)[N+](=O)[O-])/C=N/NC(=O)c1nnn(c1CN1CCN(CC1)C)c1nonc1N

STK843561
Synonyms: N- ethyl- 2- methyl- 5- (3- methyl- 4- oxo- 3,4- dihydrophthalazin- 1- yl)benzenesulfonamide
Smiles: CCNS(=O)(=O)c1cc(ccc1C)c1nn(C)c(=O)c2c1cccc2

STK548409
Synonyms: 6,7- dimethoxy- 1- (2- phenylethyl)- 3,4- dihydroisoquinoline
Smiles: COc1cc2C(=NCCc2cc1OC)CCc1ccccc1

STK548412
Synonyms: [(2- ethyl- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl)sulfanyl]aceticacid
Smiles: CCc1nc(SCC(=O)O)c2c(n1)sc1c2CC(OC1)(C)C

STK548413
Synonyms: prop- 2- en- 1- yl4- [4- (benzyloxy)- 3- methoxyphenyl]- 6- (benzylsulfanyl)- 5- cyano- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)OCc1ccccc1)C#N)SCc1ccccc1

STK548415
Synonyms: ethyl2,1,3- benzoxadiazole- 5- carboxylate1- oxide
Smiles: CCOC(=O)c1ccc2c(c1)no[n+]2[O-]

STK843563
Synonyms: ethyl{[(3- cyano- 1- methyl- 1H- indol- 2- yl)methyl]sulfanyl}acetate
Smiles: CCOC(=O)CSCc1c(C#N)c2c(n1C)cccc2

STK548421
Synonyms: (2E)- 2- [2- (pyridin- 2- yl)cyclopentylidene]hydrazinecarbothioamide
Smiles: NC(=S)N/N=C/1\CCCC1c1ccccn1

STK843564
Synonyms: N- (5- chloro- 2- methoxyphenyl)- N- (3- cyano- 4,6- dimethylpyridin- 2- yl)acetamide
Smiles: COc1ccc(cc1N(c1nc(C)cc(c1C#N)C)C(=O)C)Cl

STK548423
Synonyms: 1- methoxypropan- 2- yl2- amino- 1- cyclohexyl- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: COCC(OC(=O)c1c(N)n(c2c1nc1ccccc1n2)C1CCCCC1)C

STK843567
Synonyms: 2- methyl- 4- [3- nitro- 4- (piperidin- 1- yl)phenyl]phthalazin- 1(2H)- one
Smiles: [O-][N+](=O)c1cc(ccc1N1CCCCC1)c1nn(C)c(=O)c2c1cccc2

STK548425
Synonyms: 3- {4- [4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]but- 2- yn- 1- yl}- 1,8,8- trimethyl- 3- azabicyclo[3.2.1]octane- 2,4- dione
Smiles: O=C1N(CC#CCN2CCN(CC2)Cc2ccc3c(c2)OCO3)C(=O)C2(C(C1CC2)(C)C)C

STK843568
Synonyms: 2- {[3- cyano- 4- (2,3- dimethoxyphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (4- nitrophenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)[N+](=O)[O-])NC(=O)CC1c1cccc(c1OC)OC

STK548428
Synonyms: (2E)- 3- (4- fluorophenyl)- N- [(4- methylpiperazin- 1- yl)carbonothioyl]prop- 2- enamide
Smiles: CN1CCN(CC1)C(=S)NC(=O)/C=C/c1ccc(cc1)F

STK843570
Synonyms: 3- ethyl6- methyl4- [(2- methoxy- 5- methylphenyl)amino]quinoline- 3,6- dicarboxylate
Smiles: CCOC(=O)c1cnc2c(c1Nc1cc(C)ccc1OC)cc(cc2)C(=O)OC

STK548436
Synonyms: 3- [2- (2- methoxyphenoxy)ethyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1ccccc1OC

STK843571
Synonyms: ethyl3- amino- 4- (thiophen- 2- yl)- 6,7- dihydro- 5H- cyclopenta[b]thieno[3,2- e]pyridine- 2- carboxylate
Smiles: CCOC(=O)c1sc2c(c1N)c(c1cccs1)c1c(n2)CCC1

STK548443
Synonyms: (5Z)- 3- (naphthalen- 2- yl)- 5- [4- (prop- 2- en- 1- yloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1ccc2c(c1)cccc2

STK843573
Synonyms: 5- (4- methoxyphthalazin- 1- yl)- 2- methyl- N- (pyridin- 3- ylmethyl)benzenesulfonamide
Smiles: COc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)NCc1cccnc1)C

STK548446
Synonyms: ethyl5- bromo- 3- {[(4- methyl- 1,2,5- oxadiazol- 3- yl)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1nonc1C)cc(cc2)Br

STK548448
Synonyms: 8- methoxy- 4- [4- (4- nitrobenzyl)piperazin- 1- yl]- 5H- pyrimido[5,4- b]indole
Smiles: COc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)Cc1ccc(cc1)[N+](=O)[O-]

STK843576
Synonyms: 6- amino- 4- (3,4- dimethoxyphenyl)- 2- thioxo- 1,2- dihydropyridine- 3,5- dicarbonitrile
Smiles: COc1cc(ccc1OC)c1c(C#N)c(N)[nH]c(=S)c1C#N

STK548459
Synonyms: 11- (4- fluorobenzyl)- 3- (1- phenylethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: Fc1ccc(cc1)Cn1c2nc3ccccc3nc2c2c1ncn(c2=O)C(c1ccccc1)C

STK548463
Synonyms: 5,5'- ethane- 1,2- diylbis(2- tert- butyl- 2H- tetrazole)
Smiles: CC(n1nnc(n1)CCc1nnn(n1)C(C)(C)C)(C)C

STK843581
Synonyms: N- [5- (2- methoxyethyl)- 1,3,4- thiadiazol- 2- yl]acetamide
Smiles: COCCc1nnc(s1)NC(=O)C

STK843583
Synonyms: ethyl1- (2- chlorobenzyl)- 5- hydroxy- 2- methyl- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1cc(O)cc2)Cc1ccccc1Cl

STK843584
Synonyms: 2- [(3- cyano- 5- oxo- 5,6,7,8- tetrahydroquinolin- 2- yl)sulfanyl]- N- (4- fluorophenyl)acetamide
Smiles: N#Cc1cc2C(=O)CCCc2nc1SCC(=O)Nc1ccc(cc1)F

STK548471
Synonyms: 4- methyl- N- [(5Z)- 4- oxo- 5- (pyridin- 4- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: Cc1ccc(cc1)C(=O)NN1C(=S)S/C(=C\c2ccncc2)/C1=O

STK843591
Synonyms: 6- phenyl- 3- (2- phenylethyl)thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: O=c1n(CCc2ccccc2)cnc2c1cc(s2)c1ccccc1

STK548490
Synonyms: 1- (9H- carbazol- 9- yl)- 3- [(2- hydroxyethyl)(methyl)amino]propan- 2- ol
Smiles: OCCN(CC(Cn1c2ccccc2c2c1cccc2)O)C

STK548493
Synonyms: 4- {(5Z)- 4- oxo- 5- [4- (prop- 2- en- 1- yloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 3- yl}benzoicacid
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)C(=O)O

STK548494
Synonyms: benzylN'- cyano- N- (3- fluorophenyl)carbamimidothioate
Smiles: N#C/N=C(/Nc1cccc(c1)F)\SCc1ccccc1

STK843594
Synonyms: (2- methylnaphthalen- 1- yl)methyl4- amino- 1,2,5- oxadiazole- 3- carboxylate
Smiles: Cc1ccc2c(c1COC(=O)c1nonc1N)cccc2

STK548501
Synonyms: N- ({2- [(2,4- dichlorophenyl)carbonyl]hydrazinyl}carbonothioyl)pyridine- 4- carboxamide
Smiles: S=C(NC(=O)c1ccncc1)NNC(=O)c1ccc(cc1Cl)Cl

STK843595
Synonyms: 2- [4- (4- chlorophenyl)- 1- oxophthalazin- 2(1H)- yl]- N- (naphthalen- 2- yl)acetamide
Smiles: O=C(Cn1nc(c2ccc(cc2)Cl)c2c(c1=O)cccc2)Nc1ccc2c(c1)cccc2

STK843596
Synonyms: 3- amino- N,4- bis(4- methylphenyl)- 6,7- dihydro- 5H- cyclopenta[b]thieno[3,2- e]pyridine- 2- carboxamide
Smiles: Cc1ccc(cc1)NC(=O)c1sc2c(c1N)c(c1ccc(cc1)C)c1c(n2)CCC1

STK843597
Synonyms: methyl3- [(5- {[4- (ethoxycarbonyl)phenyl]amino}- 2,4- dioxo- 1,3- thiazolidin- 3- yl)methyl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC1SC(=O)N(C1=O)Cc1cccc(c1)C(=O)OC

STK548506
Synonyms: (5Z)- 3- (2- fluorophenyl)- 5- [4- (prop- 2- en- 1- yloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1ccccc1F

STK548507
Synonyms: N- ({2- [(4- fluorophenyl)carbonyl]hydrazinyl}carbonothioyl)pyridine- 3- carboxamide
Smiles: S=C(NC(=O)c1cccnc1)NNC(=O)c1ccc(cc1)F

STK843598
Synonyms: 2- {[5- (3- chloro- 1- benzothiophen- 2- yl)- 1,3,4- oxadiazol- 2- yl]sulfanyl}- N- cyclohexylacetamide
Smiles: O=C(NC1CCCCC1)CSc1nnc(o1)c1sc2c(c1Cl)cccc2

STK548508
Synonyms: 3- (2- methoxyphenyl)- 11- (3- methoxypropyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COCCCn1c2nc3ccccc3nc2c2c1ncn(c2=O)c1ccccc1OC

STK548512
Synonyms: N- [(4- methoxy- 6- methylpyrimidin- 2- yl)carbamothioyl]- N- methylbenzamide
Smiles: COc1nc(nc(c1)C)NC(=S)N(C(=O)c1ccccc1)C

STK548516
Synonyms: (2E)- N- [(9,10- dioxo- 9,10- dihydroanthracen- 2- yl)carbamothioyl]- 3- phenylprop- 2- enamide
Smiles: O=C(NC(=S)Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1)/C=C/c1ccccc1

STK548520
Synonyms: prop- 2- en- 1- yl2- amino- 1- (3- butoxypropyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: CCCCOCCCn1c2nc3ccccc3nc2c(c1N)C(=O)OCC=C

STK843602
Synonyms: 4- (naphthalen- 1- ylmethyl)- N- [(1E,2E)- 3- phenylprop- 2- en- 1- ylidene]piperazin- 1- amine
Smiles: c1ccc(cc1)/C=C/C=N/N1CCN(CC1)Cc1cccc2c1cccc2

STK843604
Synonyms: 9- oxo- 9H- indeno[1,2- b]pyrazine- 2,3- dicarbonitrile
Smiles: N#Cc1nc2c3ccccc3C(=O)c2nc1C#N

STK548536
Synonyms: 2,7,8- trimethyl- 3- (morpholin- 4- ylmethyl)quinolin- 4- ol
Smiles: Cc1nc2c(C)c(C)ccc2c(c1CN1CCOCC1)O

STK548543
Synonyms: 4- (5- methoxy- 1,2- dimethyl- 1H- indol- 3- yl)- N- methyl- 1,3- thiazol- 2- amine
Smiles: CNc1scc(n1)c1c(C)n(c2c1cc(OC)cc2)C

STK548553
Synonyms: N- (2,5- dioxo- 1- phenylpyrrolidin- 3- yl)- N- (4- methoxybenzyl)benzamide
Smiles: COc1ccc(cc1)CN(C1CC(=O)N(C1=O)c1ccccc1)C(=O)c1ccccc1

STK843609
Synonyms: 3- amino- 4- (furan- 2- yl)- N- (4- nitrophenyl)- 6,7,8,9- tetrahydro- 5H- cyclohepta[b]thieno[3,2- e]pyridine- 2- carboxamide
Smiles: [O-][N+](=O)c1ccc(cc1)NC(=O)c1sc2c(c1N)c(c1ccco1)c1c(n2)CCCCC1

STK843610
Synonyms: 6- (4- chlorophenyl)- 8- (4- methoxyphenyl)- 3,4a,7a,8- tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3- d][1,3]thiazole- 2,5,7(6H)- trione
Smiles: COc1ccc(cc1)C1C2C(Sc3c1sc(=O)[nH]3)C(=O)N(C2=O)c1ccc(cc1)Cl

STK548559
Synonyms: 4- amino- 5,7- dimethoxy- 2- (pentafluoroethyl)quinoline- 3- carbonitrile
Smiles: COc1cc(OC)c2c(c1)nc(c(c2N)C#N)C(C(F)(F)F)(F)F

STK548564
Synonyms: (5Z)- 3- (3,5- dichlorophenyl)- 5- (4- fluorobenzylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: Fc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1cc(Cl)cc(c1)Cl

STK843617
Synonyms: 4- (4- methoxyphenoxy)- 1- methyl[1,2,4]triazolo[4,3- a]quinoxaline
Smiles: COc1ccc(cc1)Oc1nc2ccccc2n2c1nnc2C

STK548574
Synonyms: 3- hydroxy- 5- (4- methoxyphenyl)- 4- [(4- nitrophenyl)carbonyl]- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: COc1ccc(cc1)C1NC(=O)C(=C1C(=O)c1ccc(cc1)[N+](=O)[O-])O

STK843618
Synonyms: N- (3- carbamothioyl- 5,5- dimethyl- 4,7- dihydro- 5H- thieno[2,3- c]pyran- 2- yl)benzamide
Smiles: NC(=S)c1c(NC(=O)c2ccccc2)sc2c1CC(C)(C)OC2

STK548579
Synonyms: 3- methyl- 2- phenyl- N- (1,3- thiazol- 2- yl)butanamide
Smiles: CC(C(C(=O)Nc1nccs1)c1ccccc1)C

STK548587
Synonyms: (5Z)- 3- [4- (diethylamino)phenyl]- 5- (4- ethoxy- 3- methoxybenzylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)N(CC)CC

STK843620
Synonyms: 1- oxo- 1- phenylpropan- 2- yl5- [(2- methoxyphenyl)amino]- 5- oxopentanoate
Smiles: COc1ccccc1NC(=O)CCCC(=O)OC(C(=O)c1ccccc1)C

STK548597
Synonyms: [3- acetyl- 2- (4- bromophenyl)- 4- hydroxy- 5- oxo- 2,5- dihydro- 1H- pyrrol- 1- yl]aceticacid
Smiles: OC(=O)CN1C(c2ccc(cc2)Br)C(=C(C1=O)O)C(=O)C

STK843624
Synonyms: N- (2- methoxyethyl)- 2- (4- methyl- 1- oxophthalazin- 2(1H)- yl)acetamide
Smiles: COCCNC(=O)Cn1nc(C)c2c(c1=O)cccc2

STK843628
Synonyms: [3- amino- 4- (furan- 2- yl)- 6,7,8,9- tetrahydro- 5H- cyclohepta[b]thieno[3,2- e]pyridin- 2- yl](phenyl)methanone
Smiles: O=C(c1sc2c(c1N)c(c1ccco1)c1c(n2)CCCCC1)c1ccccc1

STK548611
Synonyms: 3- amino- 6- ethyl- N- [2- (4- fluorophenyl)ethyl]- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: CCC1CCc2c(C1)cc1c(n2)sc(c1N)C(=O)NCCc1ccc(cc1)F

STK843630
Synonyms: N,N,N',N'- tetramethyl- 6- [(6- propoxypyridazin- 3- yl)oxy]- 1,3,5- triazine- 2,4- diamine
Smiles: CCCOc1ccc(nn1)Oc1nc(nc(n1)N(C)C)N(C)C

STK843634
Synonyms: 5,6- dimethyl- 3- (3- methylbenzyl)thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: Cc1cccc(c1)Cn1cnc2c(c1=O)c(C)c(s2)C

STK548619
Synonyms: 3- [(5,6- dimethylthieno[2,3- d]pyrimidin- 4- yl)sulfanyl]pentane- 2,4- dione
Smiles: CC(=O)C(C(=O)C)Sc1ncnc2c1c(C)c(s2)C

STK548622
Synonyms: N- benzyl- 2- cyano- 2- {3- [4- (2- phenylethyl)piperazin- 1- yl]quinoxalin- 2- yl}acetamide
Smiles: N#CC(c1nc2ccccc2nc1N1CCN(CC1)CCc1ccccc1)C(=O)NCc1ccccc1

STK843635
Synonyms: 6- chloro- 2- methyl- N- (3- nitrophenyl)quinolin- 4- amine
Smiles: Clc1ccc2c(c1)c(Nc1cccc(c1)[N+](=O)[O-])cc(n2)C

STK843636
Synonyms: N- (2- methylphenyl)- 2- (4- nitrophenyl)quinazolin- 4- amine
Smiles: Cc1ccccc1Nc1nc(nc2c1cccc2)c1ccc(cc1)[N+](=O)[O-]

STK548629
Synonyms: ethyl(1R,3R)- 3- (phenylcarbonyl)- 1,2,3,10b- tetrahydropyrrolo[2,1- a]phthalazine- 1- carboxylate
Smiles: CCOC(=O)[C@@H]1C[C@@H](N2C1c1ccccc1C=N2)C(=O)c1ccccc1

STK548630
Synonyms: 2- (1,3- benzoxazol- 2- ylamino)- 4- (4- chlorophenyl)pyrimidine- 5- carbonitrile
Smiles: N#Cc1cnc(nc1c1ccc(cc1)Cl)Nc1nc2c(o1)cccc2

STK548631
Synonyms: 3- (acetylsulfanyl)- 3- (1,3- benzothiazol- 2- yl)propanoicacid
Smiles: OC(=O)CC(c1nc2c(s1)cccc2)SC(=O)C

STK548636
Synonyms: 8- bromo- N- [3- (morpholin- 4- yl)propyl]- 5H- pyrimido[5,4- b]indol- 4- amine
Smiles: Brc1ccc2c(c1)c1ncnc(c1[nH]2)NCCCN1CCOCC1

STK548640
Synonyms: 5- ({[3- (3- tert- butyl- 1- methyl- 7- oxo- 6,7- dihydro- 1H- pyrazolo[4,3- d]pyrimidin- 5- yl)- 4- ethoxyphenyl]sulfonyl}amino)- 2- hydroxybenzoicacid
Smiles: CCOc1ccc(cc1c1nc2c(c(=O)[nH]1)n(nc2C(C)(C)C)C)S(=O)(=O)Nc1ccc(c(c1)C(=O)O)O

STK548645
Synonyms: N- [(5Z)- 5- (1H- indol- 3- ylmethylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 3- nitrobenzamide
Smiles: S=C1S/C(=C\c2c[nH]c3c2cccc3)/C(=O)N1NC(=O)c1cccc(c1)[N+](=O)[O-]

STK843644
Synonyms: 3- hydroxy- 1- (4- methoxyphenyl)- 5- (3- nitrophenyl)- 4- [(2E)- 3- phenylprop- 2- enoyl]- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: COc1ccc(cc1)N1C(c2cccc(c2)[N+](=O)[O-])C(=C(C1=O)O)C(=O)/C=C/c1ccccc1

STK548650
Synonyms: [3- (2,6- dimethylmorpholin- 4- yl)quinoxalin- 2- yl][(4- methylphenyl)sulfonyl]acetonitrile
Smiles: N#CC(S(=O)(=O)c1ccc(cc1)C)c1nc2ccccc2nc1N1CC(C)OC(C1)C

STK843648
Synonyms: 2- (1,3- benzoxazol- 2- ylsulfanyl)- N- (2,4,4- trimethylpentan- 2- yl)acetamide
Smiles: O=C(NC(CC(C)(C)C)(C)C)CSc1nc2c(o1)cccc2

STK548655
Synonyms: 1- (benzylamino)- 2- (2- cyanoethyl)- 3- methylpyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: N#CCCc1c(C)c(C#N)c2n(c1NCc1ccccc1)c1ccccc1n2

STK548656
Synonyms: N,N'- di- tert- butyl- 9- (2- phenylhydrazinylidene)- 9H- fluorene- 2,7- disulfonamide
Smiles: CC(NS(=O)(=O)c1ccc2c(c1)/C(=N/Nc1ccccc1)/c1c2ccc(c1)S(=O)(=O)NC(C)(C)C)(C)C

STK843650
Synonyms: 1- {(E)- [(tricyclo[4.3.1.1~3,8~]undec- 1- ylmethyl)imino]methyl}naphthalen- 2- ol
Smiles: Oc1ccc2c(c1/C=N/CC13CC4CCC(C1)CC(C3)C4)cccc2

STK548661
Synonyms: methyl2- (2,4- dichlorophenyl)- 6- (diethylamino)- 4- (trifluoromethyl)- 4H- 1,3,5- oxadiazine- 4- carboxylate
Smiles: CCN(C1=NC(N=C(O1)c1ccc(cc1Cl)Cl)(C(=O)OC)C(F)(F)F)CC

STK843651
Synonyms: 2- {[3- cyano- 4- (3- ethoxy- 4- hydroxyphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (4- methoxyphenyl)acetamide
Smiles: CCOc1cc(ccc1O)C1CC(=O)NC(=C1C#N)SCC(=O)Nc1ccc(cc1)OC

STK843652
Synonyms: 4- chloro- 6- methylquinazoline
Smiles: Cc1ccc2c(c1)c(Cl)ncn2

STK548664
Synonyms: N- [1- (1H- benzimidazol- 2- yl)butyl]- 4- methoxybenzamide
Smiles: CCCC(c1nc2c([nH]1)cccc2)NC(=O)c1ccc(cc1)OC

STK548667
Synonyms: (5Z)- 5- [(phenylcarbamoyl)imino]- 3- (1- phenylpropan- 2- yl)- 4,5- dihydro- 1,2,3- oxadiazol- 3- ium- 4- ide
Smiles: O=C(/N=C/1\ON=[N+]([CH-]1)C(Cc1ccccc1)C)Nc1ccccc1

STK548669
Synonyms: 3- (furan- 2- yl)- 5,5- dimethyl- 5,6- dihydro[1,2,4]triazolo[3,4- a]isoquinoline
Smiles: CC1(C)Cc2ccccc2c2n1c(nn2)c1ccco1

STK843656
Synonyms: 3- amino- N- (2,4- dimethoxyphenyl)- 6- (thiophen- 2- yl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: COc1cc(OC)ccc1NC(=O)c1sc2c(c1N)ccc(n2)c1cccs1

STK843658
Synonyms: 3- amino- 4- (furan- 2- yl)- N- (3- methylphenyl)- 6,7,8,9- tetrahydro- 5H- cyclohepta[b]thieno[3,2- e]pyridine- 2- carboxamide
Smiles: Cc1cccc(c1)NC(=O)c1sc2c(c1N)c(c1ccco1)c1c(n2)CCCCC1

STK548686
Synonyms: (5Z)- 5- [4- (octyloxy)benzylidene]- 2- (phenylamino)- 1,3- thiazol- 4(5H)- one
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=NC1=O)Nc1ccccc1

STK548688
Synonyms: 3- {(5Z)- 5- [4- (octyloxy)benzylidene]- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl}benzoicacid
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1cccc(c1)C(=O)O

STK548689
Synonyms: N'- {(E)- [1- (4- ethylphenyl)- 2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene]methyl}pentanehydrazide
Smiles: CCCCC(=O)NN/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)CC

STK548691
Synonyms: (2E)- 2- {[(2- chlorophenyl)carbonyl]amino}- 3- (furan- 2- yl)prop- 2- enoicacid
Smiles: OC(=O)/C(=C\c1ccco1)/NC(=O)c1ccccc1Cl

STK548693
Synonyms: N- [(E)- (3,4,5- trichlorothiophen- 2- yl)methylidene]naphthalen- 1- amine
Smiles: Clc1c(Cl)sc(c1Cl)/C=N/c1cccc2c1cccc2

STK548694
Synonyms: 5- (4- chlorophenyl)- 4- [(4- chlorophenyl)carbonyl]- 3- hydroxy- 1- phenyl- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Clc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)Cl)c1ccccc1

STK843665
Synonyms: ethyl5- (acetyloxy)- 6- bromo- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OC(=O)C)c(c2)Br

STK843666
Synonyms: 2- [(4- chlorobenzyl)sulfanyl]- 7,7- dimethyl- 5- oxo- 4- (3,4,5- trimethoxyphenyl)- 1,4,5,6,7,8- hexahydroquinoline- 3- carbonitrile
Smiles: N#CC1=C(SCc2ccc(cc2)Cl)NC2=C(C1c1cc(OC)c(c(c1)OC)OC)C(=O)CC(C2)(C)C

STK548697
Synonyms: 3- {[3- (2- carboxyethyl)- 2,4- dioxo- 1,3- thiazolidin- 5- yl]amino}benzoicacid
Smiles: OC(=O)CCN1C(=O)SC(C1=O)Nc1cccc(c1)C(=O)O

STK548701
Synonyms: (5Z)- 3- (3,4- dichlorophenyl)- 5- [4- (prop- 2- en- 1- yloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1ccc(c(c1)Cl)Cl

STK843673
Synonyms: 3- amino- 7,7- dimethyl- N- (4- nitrophenyl)- 5- oxo- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)cc1c(n2)CC(CC1=O)(C)C)Nc1ccc(cc1)[N+](=O)[O-]

STK548706
Synonyms: methyl2- amino- 1- (4- sulfamoylphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: COC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1)S(=O)(=O)N

STK548708
Synonyms: 2- methyl- N- [2- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)ethyl]propan- 2- amine
Smiles: CC(NCCC12CC3CC(C2)CC(C1)C3)(C)C

STK548710
Synonyms: (5Z)- 5- (4- ethoxy- 3- methoxybenzylidene)- 3- (naphthalen- 2- yl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=S)N(C1=O)c1ccc2c(c1)cccc2

STK548712
Synonyms: 1- (benzyloxy)- 3- (4- fluorophenyl)quinoxalin- 2(1H)- one4- oxide
Smiles: Fc1ccc(cc1)c1c(=O)n(OCc2ccccc2)c2c([n+]1[O-])cccc2

STK548713
Synonyms: 3- [(4- chlorophenyl)sulfonyl]- 1- (tetrahydrofuran- 2- ylmethyl)- 1H- pyrrolo[2,3- b]quinoxalin- 2- amine
Smiles: Clc1ccc(cc1)S(=O)(=O)c1c(N)n(c2c1nc1ccccc1n2)CC1CCCO1

STK548715
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {3- bromo- 5- ethoxy- 4- [(2- fluorobenzyl)oxy]phenyl}methylidene]- 5- (morpholin- 4- ylmethyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2CN2CCOCC2)c2nonc2N)cc(c1OCc1ccccc1F)Br

STK548721
Synonyms: 3- nitro- 4- (phenylamino)- 4a,8a- dihydro- 2H- chromen- 2- one
Smiles: [O-][N+](=O)C1=C(Nc2ccccc2)C2C(OC1=O)C=CC=C2

STK843677
Synonyms: (5Z)- 5- (4- ethoxy- 3- methoxybenzylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=S)NC1=O

STK843679
Synonyms: 1- [(2,2- dichlorocyclopropyl)methyl]- 2- ethyl- 1H- benzimidazole
Smiles: CCc1nc2c(n1CC1CC1(Cl)Cl)cccc2

STK548726
Synonyms: (5Z)- 3- (3- hydroxyphenyl)- 5- [4- (prop- 2- en- 1- yloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1cccc(c1)O

STK548730
Synonyms: 5- ({[3- (1H- imidazol- 1- yl)propyl]amino}methylidene)- 1,3- bis(2- methylphenyl)- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: S=C1N(C(=O)/C(=C/NCCCn2cncc2)/C(=O)N1c1ccccc1C)c1ccccc1C

STK548734
Synonyms: N- (2- chloropyridin- 3- yl)- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: O=c1ccc(co1)C(=O)Nc1cccnc1Cl

STK843684
Synonyms: 3- amino- N- (3- methylphenyl)- 4- (thiophen- 2- yl)- 6,7,8,9- tetrahydro- 5H- cyclohepta[b]thieno[3,2- e]pyridine- 2- carboxamide
Smiles: Cc1cccc(c1)NC(=O)c1sc2c(c1N)c(c1cccs1)c1c(n2)CCCCC1

STK548736
Synonyms: 2- {4- [(E)- (2- {[1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (methoxymethyl)- 1H- 1,2,3- triazol- 4- yl]carbonyl}hydrazinylidene)methyl]- 3- phenyl- 1H- pyrazol- 1- yl}acetamide
Smiles: COCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1cn(nc1c1ccccc1)CC(=O)N

STK548737
Synonyms: (5Z)- 3- (3- fluorophenyl)- 5- [4- (octyloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1cccc(c1)F

STK548740
Synonyms: 4- (2- bromo- 4- methylphenyl)- 5- (4- methoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccc(cc1)c1n[nH]c(=S)n1c1ccc(cc1Br)C

STK548741
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {4- [(4- fluorobenzyl)oxy]phenyl}methylidene]- 5- (phenoxymethyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Fc1ccc(cc1)COc1ccc(cc1)/C=N/NC(=O)c1nnn(c1COc1ccccc1)c1nonc1N

STK843688
Synonyms: 2- ethyl- 4- (methylsulfanyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidine
Smiles: CCc1nc(SC)c2c(n1)sc1c2CCCC1

STK843690
Synonyms: N~4~- benzyl- N~2~- (2- methoxyphenyl)quinazoline- 2,4- diamine
Smiles: COc1ccccc1Nc1nc(NCc2ccccc2)c2c(n1)cccc2

STK548750
Synonyms: 1- cyclopropyl- 6- fluoro- 4- oxo- 7- [4- (phenylcarbamoyl)piperazin- 1- yl]- 1,4- dihydroquinoline- 3- carboxylicacid
Smiles: O=C(N1CCN(CC1)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)C1CC1)Nc1ccccc1

STK548757
Synonyms: 4,4,4- trichloro- 3- (1H- imidazol- 1- yl)- 1- (4- nitrophenyl)butan- 1- one
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])CC(C(Cl)(Cl)Cl)n1cncc1

STK843696
Synonyms: [6- methyl- 2- (4- methylphenyl)quinolin- 4- yl](morpholin- 4- yl)methanone
Smiles: Cc1ccc2c(c1)c(cc(n2)c1ccc(cc1)C)C(=O)N1CCOCC1

STK548759
Synonyms: [3- amino- 4- (furan- 2- yl)- 6- methylthieno[2,3- b]pyridin- 2- yl](phenyl)methanone
Smiles: Cc1nc2sc(c(c2c(c1)c1ccco1)N)C(=O)c1ccccc1

STK548763
Synonyms: N- [1- (4- bromophenyl)- 2,5- dioxopyrrolidin- 3- yl]- 3- fluoro- N- [2- (4- methoxyphenyl)ethyl]benzamide
Smiles: COc1ccc(cc1)CCN(C(=O)c1cccc(c1)F)C1CC(=O)N(C1=O)c1ccc(cc1)Br

STK548767
Synonyms: N- ({2- [(2- fluorophenyl)carbonyl]hydrazinyl}carbonothioyl)pyridine- 3- carboxamide
Smiles: S=C(NC(=O)c1cccnc1)NNC(=O)c1ccccc1F

STK548781
Synonyms: 2- [3- oxo- 3- (1,3,4- thiadiazol- 2- ylamino)propyl]hexanoicacid
Smiles: CCCCC(C(=O)O)CCC(=O)Nc1nncs1

STK548782
Synonyms: 3- (4- benzylpiperazin- 1- yl)- 4- chloro- 1- (2- methylphenyl)- 1H- pyrrole- 2,5- dione
Smiles: ClC1=C(N2CCN(CC2)Cc2ccccc2)C(=O)N(C1=O)c1ccccc1C

STK843702
Synonyms: (2Z)- 7- (bromomethyl)- N- hydroxy- 1,7- dimethylbicyclo[2.2.1]heptan- 2- imine
Smiles: O/N=C\1/CC2C(C1(C)CC2)(C)CBr

STK548792
Synonyms: methyl1- (4- methoxyphenyl)- 6- oxo- 1,6- dihydropyridine- 3- carboxylate
Smiles: COc1ccc(cc1)n1cc(ccc1=O)C(=O)OC

STK548797
Synonyms: 5- {4- [(2,4- dimethylphenyl)amino]phthalazin- 1- yl}- 2- methyl- N- (pyridin- 3- ylmethyl)benzenesulfonamide
Smiles: Cc1ccc(c(c1)C)Nc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)NCc1cccnc1)C

STK548799
Synonyms: N'- [(1E)- 1- (4- methoxyphenyl)ethylidene]- 2- [(5- methyl- 1,3,4- thiadiazol- 2- yl)sulfanyl]acetohydrazide
Smiles: COc1ccc(cc1)/C(=N/NC(=O)CSc1nnc(s1)C)/C

STK548801
Synonyms: 2- amino- 4- {3- ethoxy- 4- [2- (morpholin- 4- yl)ethoxy]phenyl}- 5- oxo- 4a,5,6,7,8,8a- hexahydro- 4H- chromene- 3- carbonitrile
Smiles: CCOc1cc(ccc1OCCN1CCOCC1)C1C2C(=O)CCCC2OC(=C1C#N)N

STK548802
Synonyms: N- (4- methoxyphenyl)- 4- {[2- (pyridin- 4- yl)quinazolin- 4- yl]oxy}benzamide
Smiles: COc1ccc(cc1)NC(=O)c1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccncc1

STK548804
Synonyms: (5Z)- 2- [(2,3- dichlorophenyl)amino]- 5- (pyridin- 3- ylmethylidene)- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C\c1cccnc1)Nc1cccc(c1Cl)Cl

STK548808
Synonyms: 4- {(2E)- 2- [(6- methoxyquinolin- 2- yl)methylidene]hydrazinyl}pyrimidin- 2(1H)- one
Smiles: COc1ccc2c(c1)ccc(n2)/C=N/Nc1cc[nH]c(=O)n1

STK843706
Synonyms: N- (1- hydroxy- 2- methylpropan- 2- yl)- 3,5- dimethyltricyclo[3.3.1.1~3,7~]decane- 1- carboxamide
Smiles: OCC(NC(=O)C12CC3CC(C2)(CC(C1)(C3)C)C)(C)C

STK548812
Synonyms: N- [1- (1- {2- [(2- ethylphenyl)amino]- 2- oxoethyl}- 1H- benzimidazol- 2- yl)- 3- (methylsulfanyl)propyl]benzamide
Smiles: CSCCC(c1nc2c(n1CC(=O)Nc1ccccc1CC)cccc2)NC(=O)c1ccccc1

STK843708
Synonyms: 2- {[3- cyano- 6- oxo- 4- (3,4,5- trimethoxyphenyl)- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (1,3- thiazol- 2- yl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2nccs2)NC(=O)CC1c1cc(OC)c(c(c1)OC)OC

STK843709
Synonyms: N- benzyl- 2- {[3- cyano- 4- (2- fluorophenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinolin- 2- yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)NCc2ccccc2)NC2=C(C1c1ccccc1F)C(=O)CCC2

STK843710
Synonyms: 6- amino- 3- (methoxymethyl)- 4- (propan- 2- yl)- 2,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: COCc1[nH]nc2c1C(C(C)C)C(=C(O2)N)C#N

STK548816
Synonyms: N- [(5Z)- 5- (4- fluorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 3- nitrobenzamide
Smiles: Fc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1cccc(c1)[N+](=O)[O-]

STK548822
Synonyms: N'- [(4,6- dioxo- 2- thioxotetrahydropyrimidin- 5(2H)- ylidene)methyl]pentanehydrazide
Smiles: CCCCC(=O)NNC=C1C(=O)NC(=S)NC1=O

STK548828
Synonyms: (8S,8aR,11aS)- 8- [(4- methoxyphenyl)carbonyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1[C@@H]2C(=O)NC(=O)[C@@H]2C2N1C=Cc1c2cccc1

STK843713
Synonyms: 2- phenyl- 4- (thiophen- 2- yl)- 6- (trifluoromethyl)- 1,2- dihydro- 3H- pyrazolo[3,4- b]pyridin- 3- one
Smiles: O=c1c2c([nH]n1c1ccccc1)nc(cc2c1cccs1)C(F)(F)F

STK548833
Synonyms: (5Z)- 3- (4- fluorophenyl)- 5- [4- (prop- 2- en- 1- yloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)F

STK548842
Synonyms: ethyl2- (2- fluorophenyl)- 4- hydroxy- 5- oxo- 1- phenyl- 2,5- dihydro- 1H- pyrrole- 3- carboxylate
Smiles: CCOC(=O)C1=C(O)C(=O)N(C1c1ccccc1F)c1ccccc1

STK843716
Synonyms: (2E)- 3- (3,4- dimethoxyphenyl)- 2- [4- (4- nitrophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\c1ccc(c(c1)OC)OC)/c1scc(n1)c1ccc(cc1)[N+](=O)[O-]

STK843718
Synonyms: N- (4- {[3- (9H- carbazol- 9- yl)- 2- hydroxypropyl](methylsulfonyl)amino}phenyl)acetamide
Smiles: OC(CN(S(=O)(=O)C)c1ccc(cc1)NC(=O)C)Cn1c2ccccc2c2c1cccc2

STK548848
Synonyms: propan- 2- ylcyano{3- [4- (2- methoxyphenyl)piperazin- 1- yl]quinoxalin- 2- yl}acetate
Smiles: N#CC(c1nc2ccccc2nc1N1CCN(CC1)c1ccccc1OC)C(=O)OC(C)C

STK548852
Synonyms: 4- [(2E)- 2- (butan- 2- ylidene)hydrazinyl]pyrimidin- 2(1H)- one
Smiles: C/C(=N\Nc1cc[nH]c(=O)n1)/CC

STK548857
Synonyms: 4- (biphenyl- 4- yloxy)- 1- phenyl[1,2,4]triazolo[4,3- a]quinoxaline
Smiles: c1ccc(cc1)c1ccc(cc1)Oc1nc2ccccc2n2c1nnc2c1ccccc1

STK843722
Synonyms: methyl({3- cyano- 4- (2- fluorophenyl)- 5- [(2- methoxyphenyl)carbamoyl]- 6- methyl- 1,4- dihydropyridin- 2- yl}sulfanyl)acetate
Smiles: COC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1OC)c1ccccc1F

STK843723
Synonyms: methyl2- (diethylamino)- 6- methyl- 4- (trifluoromethyl)- 4H- 1,3,5- oxadiazine- 4- carboxylate
Smiles: CCN(C1=NC(N=C(O1)C)(C(=O)OC)C(F)(F)F)CC

STK548863
Synonyms: 6,6'- {[2,5- bis(1H- benzotriazol- 1- yl)- 3,6- dioxocyclohexa- 1,4- diene- 1,4- diyl]diimino}dihexanoicacid
Smiles: OC(=O)CCCCCNC1=C(C(=O)C(=C(C1=O)n1nnc2c1cccc2)NCCCCCC(=O)O)n1nnc2c1cccc2

STK548864
Synonyms: (5Z)- 3- (3- chlorophenyl)- 5- [4- (prop- 2- en- 1- yloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1cccc(c1)Cl

STK548865
Synonyms: 4- amino- N'- [(E)- (4- hydroxy- 3,5- dimethoxyphenyl)methylidene]- 1,2,5- oxadiazole- 3- carbohydrazonamide
Smiles: COc1cc(/C=N/N=C(/c2nonc2N)\N)cc(c1O)OC

STK843727
Synonyms: 2- (4- ethoxyphenyl)quinoxaline
Smiles: CCOc1ccc(cc1)c1cnc2c(n1)cccc2

STK548872
Synonyms: 2,6,8- trimethyl- 3- (morpholin- 4- ylmethyl)quinolin- 4- ol
Smiles: Cc1cc(C)c2c(c1)c(O)c(c(n2)C)CN1CCOCC1

STK548876
Synonyms: 8- (methylsulfanyl)- 9H- purin- 6- amine
Smiles: CSc1nc2c([nH]1)ncnc2N

STK548885
Synonyms: 11- (3- bromophenyl)- N- (3- chloro- 4- fluorophenyl)- N,10- dimethyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Brc1cccc(c1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2N(c1ccc(c(c1)Cl)F)C)c1ccccc1

STK548890
Synonyms: 4- (2,3- dichlorophenyl)- 5- phenyl- 2- [(E)- 2- phenylethenyl]- 1H- imidazole
Smiles: Clc1cccc(c1Cl)c1nc([nH]c1c1ccccc1)/C=C/c1ccccc1

STK548891
Synonyms: 2- iodo- N- {[3- (pyridin- 3- yl)piperidin- 1- yl]carbonothioyl}benzamide
Smiles: S=C(N1CCCC(C1)c1cccnc1)NC(=O)c1ccccc1I

STK548892
Synonyms: 2- [(5Z)- 5- (2,4- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]butanoicacid
Smiles: CCC(N1C(=S)S/C(=C\c2ccc(cc2OC)OC)/C1=O)C(=O)O

STK548893
Synonyms: 11- (2- chlorobenzyl)- 3- (2- methoxyethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1Cl

STK548894
Synonyms: prop- 2- en- 1- yl4- [4- (benzyloxy)- 3- methoxyphenyl]- 6- ({2- [(4- bromophenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)OCc1ccccc1)C#N)SCC(=O)Nc1ccc(cc1)Br

STK843732
Synonyms: N- [3- (9H- carbazol- 9- yl)- 2- hydroxypropyl]- 4- chloro- N- phenylbenzenesulfonamide
Smiles: OC(CN(S(=O)(=O)c1ccc(cc1)Cl)c1ccccc1)Cn1c2ccccc2c2c1cccc2

STK548896
Synonyms: 4- {[4- (4- ethoxyphenyl)phthalazin- 1- yl]amino}- N- methylbenzamide
Smiles: CCOc1ccc(cc1)c1nnc(c2c1cccc2)Nc1ccc(cc1)C(=O)NC

STK843735
Synonyms: (4Z)- N- hydroxy- 6,6- dimethyl- 6,7- dihydro- 1- benzofuran- 4(5H)- imine
Smiles: O/N=C\1/CC(C)(C)Cc2c1cco2

STK843736
Synonyms: (2E)- 2- [2- (pyridin- 2- yl)cyclopentylidene]hydrazinecarboxamide
Smiles: NC(=O)N/N=C/1\CCCC1c1ccccn1

STK548902
Synonyms: 2- (tert- butylamino)- 2- oxoethylN'- cyano- N- (3- fluorophenyl)carbamimidothioate
Smiles: N#C/N=C(/Nc1cccc(c1)F)\SCC(=O)NC(C)(C)C

STK843737
Synonyms: 7- methyl- 5- phenyltetrazolo[1,5- a]quinazoline
Smiles: Cc1ccc2c(c1)c(nc1n2nnn1)c1ccccc1

STK843738
Synonyms: 1- [5- (3,4- dimethylphenyl)- 1,3,4- thiadiazol- 2- yl]- 3- (2- methylphenyl)urea
Smiles: O=C(Nc1ccccc1C)Nc1nnc(s1)c1ccc(c(c1)C)C

STK548916
Synonyms: 2- (4- butoxyphenyl)- 4- hydrazinyl- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCCOc1ccc(cc1)c1nc(NN)c2c(n1)sc1c2CC(OC1)(C)C

STK548929
Synonyms: ethyl1- amino- 5- (2- methylpropyl)- 7,8- dihydro- 6H- cyclopenta[d]thieno[2,3- b]pyridine- 2- carboxylate
Smiles: CCOC(=O)c1sc2c(c1N)c1CCCc1c(n2)CC(C)C

STK548935
Synonyms: 4- {(Z)- 2- [4- (biphenyl- 4- yl)- 1,3- thiazol- 2- yl]- 2- cyanoethenyl}- 2,6- dimethoxyphenylacetate
Smiles: N#C/C(=C/c1cc(OC)c(c(c1)OC)OC(=O)C)/c1scc(n1)c1ccc(cc1)c1ccccc1

STK548942
Synonyms: 4- [3'- (4- methylphenyl)- 1',5- diphenyl- 3,4- dihydro- 1'H,2H- 3,4'- bipyrazol- 2- yl]- 4- oxobutanoicacid
Smiles: OC(=O)CCC(=O)N1N=C(CC1c1cn(nc1c1ccc(cc1)C)c1ccccc1)c1ccccc1

STK843744
Synonyms: (5Z)- 5- (3- ethoxy- 4- hydroxybenzylidene)- 2- [(2- methylphenyl)amino]- 1,3- thiazol- 4(5H)- one
Smiles: CCOc1cc(ccc1O)/C=C/1\SC(=NC1=O)Nc1ccccc1C

STK548950
Synonyms: 8- bromo- N- [2- (morpholin- 4- yl)ethyl]- 5H- pyrimido[5,4- b]indol- 4- amine
Smiles: Brc1ccc2c(c1)c1ncnc(c1[nH]2)NCCN1CCOCC1

STK548954
Synonyms: 8- chloro- N- [2- (morpholin- 4- yl)ethyl]- 5H- pyrimido[5,4- b]indol- 4- amine
Smiles: Clc1ccc2c(c1)c1ncnc(c1[nH]2)NCCN1CCOCC1

STK843745
Synonyms: 5- (pyridin- 4- yl)- 4- [2- (trifluoromethyl)phenyl]- 4H- 1,2,4- triazole- 3- thiol
Smiles: Sc1nnc(n1c1ccccc1C(F)(F)F)c1ccncc1

STK843746
Synonyms: (2Z)- 3- [(4- bromo- 2- fluorophenyl)amino]- 2- [4- (3- methoxyphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: COc1cccc(c1)c1csc(n1)/C(=C\Nc1ccc(cc1F)Br)/C#N

STK548957
Synonyms: 7,8- dimethoxy- 4- (4- methylpiperidin- 1- yl)- 5H- pyrimido[5,4- b]indole
Smiles: COc1cc2c(cc1OC)[nH]c1c2ncnc1N1CCC(CC1)C

STK548960
Synonyms: 2- [(5Z)- 5- (2,5- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]propanoicacid
Smiles: COc1ccc(cc1/C=C/1\SC(=S)N(C1=O)C(C(=O)O)C)OC

STK548962
Synonyms: 4- fluoro- N- [(5Z)- 5- (3- fluorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: Fc1ccc(cc1)C(=O)NN1C(=S)S/C(=C\c2cccc(c2)F)/C1=O

STK548964
Synonyms: 8- bromo- 2- methyl- 3- {[(E)- (4- methylcyclohex- 3- en- 1- yl)methylidene]amino}- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: CC1=CCC(CC1)/C=N/n1c(C)nc2c(c1=O)[nH]c1c2cc(cc1)Br

STK548965
Synonyms: (5Z)- 3- (3,5- dichlorophenyl)- 5- [(2E)- 2- methyl- 3- phenylprop- 2- en- 1- ylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: C/C(=C\c1ccccc1)/C=C/1\SC(=S)N(C1=O)c1cc(Cl)cc(c1)Cl

STK548967
Synonyms: N- (2,5- dimethylphenyl)- 2- (pyridin- 2- yl)quinazolin- 4- amine
Smiles: Cc1ccc(c(c1)Nc1nc(nc2c1cccc2)c1ccccn1)C

STK548968
Synonyms: 2- amino- 3- (1,3- benzothiazol- 2- yl)- 7- hydroxy- 8- [(2- methylpiperidin- 1- yl)methyl]- 4H- chromen- 4- one
Smiles: CC1CCCCN1Cc1c(O)ccc2c1oc(N)c(c2=O)c1nc2c(s1)cccc2

STK548972
Synonyms: 1- [2- (3,4- dimethoxyphenyl)- 7- ethoxy- 6- methoxyquinazolin- 4- yl]piperidine- 4- carboxamide
Smiles: CCOc1cc2nc(nc(c2cc1OC)N1CCC(CC1)C(=O)N)c1ccc(c(c1)OC)OC

STK548973
Synonyms: (2'S,3S,3'S,10b'R)- 3'- (2,2- dimethylpropanoyl)- 2'- (phenylcarbonyl)- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: O=C([C@@H]1[C@H](N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2)C(=O)C(C)(C)C)c1ccccc1

STK548980
Synonyms: 5- cyano- 4- (furan- 2- yl)- 2- methyl- 6- ({2- [(2- nitrophenyl)amino]- 2- oxoethyl}sulfanyl)- N- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2[N+](=O)[O-])NC(=C(C1c1ccco1)C(=O)Nc1ccccc1)C

STK548986
Synonyms: 3- [4- (4- bromophenyl)- 1,3- thiazol- 2- yl]- 2- oxo- 2H- chromen- 7- ylcyclohexanecarboxylate
Smiles: O=C(C1CCCCC1)Oc1ccc2c(c1)oc(=O)c(c2)c1scc(n1)c1ccc(cc1)Br

STK843754
Synonyms: 1- (2- methylphenyl)- 3- [5- (4- propoxyphenyl)- 1,3,4- thiadiazol- 2- yl]urea
Smiles: CCCOc1ccc(cc1)c1nnc(s1)NC(=O)Nc1ccccc1C

STK548990
Synonyms: N~4~- (3- methylphenyl)- N~2~- (4- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1ccc(cc1)Nc1nc(N)c(c(n1)Nc1cccc(c1)C)[N+](=O)[O-]

STK548992
Synonyms: N~2~- cyclohexyl- N~4~- (4- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1ccc(cc1)Nc1nc(NC2CCCCC2)nc(c1[N+](=O)[O-])N

STK548996
Synonyms: 2- {[2- hydroxy- 3- (naphthalen- 2- yloxy)propyl]carbamoyl}benzoicacid
Smiles: OC(CNC(=O)c1ccccc1C(=O)O)COc1ccc2c(c1)cccc2

STK549000
Synonyms: 3,3'- [benzene- 1,3- diylbis(oxy)]bis[1- (dimethylamino)propan- 2- ol]
Smiles: OC(CN(C)C)COc1cccc(c1)OCC(CN(C)C)O

STK549004
Synonyms: 4- (2- methylphenoxy)- 2- (pyridin- 2- yl)quinazoline
Smiles: Cc1ccccc1Oc1nc(nc2c1cccc2)c1ccccn1

STK549008
Synonyms: 4- (3- methylphenoxy)- 2- (pyridin- 2- yl)quinazoline
Smiles: Cc1cccc(c1)Oc1nc(nc2c1cccc2)c1ccccn1

STK549009
Synonyms: (5Z)- 5- (2,5- dimethoxybenzylidene)- 3- (naphthalen- 2- yl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1ccc(cc1/C=C/1\SC(=S)N(C1=O)c1ccc2c(c1)cccc2)OC

STK843759
Synonyms: 3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 6- ethyl- 4- oxo- 4H- chromen- 7- ylmethanesulfonate
Smiles: CCc1cc2c(cc1OS(=O)(=O)C)occ(c2=O)c1ccc2c(c1)OCCO2

STK549016
Synonyms: 4- (piperidin- 1- yl)- 2- [4- (propan- 2- yloxy)phenyl]quinazoline
Smiles: CC(Oc1ccc(cc1)c1nc2ccccc2c(n1)N1CCCCC1)C

STK843761
Synonyms: N- carbamoyl- 4- ({(E)- 2- [4- (4- chlorophenyl)- 1,3- thiazol- 2- yl]- 2- cyanoethenyl}amino)benzenesulfonamide
Smiles: N#C/C(=C\Nc1ccc(cc1)S(=O)(=O)NC(=O)N)/c1scc(n1)c1ccc(cc1)Cl

STK549018
Synonyms: 2- methoxy- 6- {4- [(pyridin- 3- ylmethyl)amino]quinazolin- 2- yl}phenol
Smiles: COc1cccc(c1O)c1nc(NCc2cccnc2)c2c(n1)cccc2

STK549027
Synonyms: 5- cyano- 4- (4- ethoxyphenyl)- 2- methyl- 6- {[2- oxo- 2- (phenylamino)ethyl]sulfanyl}- N- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: CCOc1ccc(cc1)C1C(=C(SCC(=O)Nc2ccccc2)NC(=C1C(=O)Nc1ccccc1)C)C#N

STK843765
Synonyms: (2E)- 2- [4- (3- bromophenyl)- 1,3- thiazol- 2- yl]- 3- {[2- (trifluoromethyl)phenyl]amino}prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccccc1C(F)(F)F)/c1scc(n1)c1cccc(c1)Br

STK843767
Synonyms: dibutyl[(benzylamino)(phenyl)methyl]phosphonate
Smiles: CCCCOP(=O)(C(c1ccccc1)NCc1ccccc1)OCCCC

STK549035
Synonyms: 1- (5,6- dimethylthieno[2,3- d]pyrimidin- 4- yl)- L- proline
Smiles: OC(=O)[C@@H]1CCCN1c1ncnc2c1c(C)c(s2)C

STK549043
Synonyms: 9- fluoro- 7- hydroxy- 3- methyl- 5- oxo- N- (tetrahydrofuran- 2- ylmethyl)- 2,3- dihydro- 1H,5H- pyrido[3,2,1- ij]quinoline- 6- carboxamide
Smiles: Fc1cc2CCC(n3c2c(c1)c(O)c(c3=O)C(=O)NCC1CCCO1)C

STK549045
Synonyms: 5- (4- chlorophenyl)- 3- (furan- 2- yl)- 1- (methylsulfonyl)- 4,5- dihydro- 1H- pyrazole
Smiles: Clc1ccc(cc1)C1CC(=NN1S(=O)(=O)C)c1ccco1

STK549047
Synonyms: (5Z)- 2- [(3- chlorophenyl)amino]- 5- (3- fluorobenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: Fc1cccc(c1)/C=C/1\SC(=NC1=O)Nc1cccc(c1)Cl

STK549053
Synonyms: 2- (1,4- dioxa- 8- azaspiro[4.5]dec- 8- yl)- 1- (5- methoxy- 2- methyl- 1H- indol- 3- yl)ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN1CCC3(CC1)OCCO3)c([nH]2)C

STK549054
Synonyms: 2- (3,5- dimethylpiperidin- 1- yl)- N- (3- methylphenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CC1CC(C)CN(C1)c1nc(Nc2cccc(c2)C)c(c(n1)N)[N+](=O)[O-]

STK549060
Synonyms: (2E)- 2- [4- (4- chlorophenyl)- 1,3- thiazol- 2- yl]- 3- [(2,4- difluorophenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1F)F)/c1scc(n1)c1ccc(cc1)Cl

STK549065
Synonyms: 5- cyano- 4- (furan- 2- yl)- 2- methyl- 6- ({2- [(4- nitrophenyl)amino]- 2- oxoethyl}sulfanyl)- N- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)[N+](=O)[O-])NC(=C(C1c1ccco1)C(=O)Nc1ccccc1)C

STK843771
Synonyms: (2Z)- 2- [4- (3- bromophenyl)- 1,3- thiazol- 2- yl]- 3- [(2- fluoro- 5- nitrophenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1cc(ccc1F)[N+](=O)[O-])/c1scc(n1)c1cccc(c1)Br

STK549067
Synonyms: 8- fluoro- N- [2- (piperidin- 1- yl)ethyl]- 5H- pyrimido[5,4- b]indol- 4- amine
Smiles: Fc1ccc2c(c1)c1ncnc(c1[nH]2)NCCN1CCCCC1

STK549070
Synonyms: N~2~- benzyl- N~4~- (4- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1ccc(cc1)Nc1nc(NCc2ccccc2)nc(c1[N+](=O)[O-])N

STK549071
Synonyms: (5Z)- 5- (2,3- dimethoxybenzylidene)- 3- (2- ethoxyphenyl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCOc1ccccc1N1C(=S)S/C(=C\c2cccc(c2OC)OC)/C1=O

STK549077
Synonyms: 4- [3- (4- hydroxy- 3- methoxyphenyl)- 4,6- dioxo- 2- phenylhexahydro- 5H- pyrrolo[3,4- d][1,2]oxazol- 5- yl]benzoicacid
Smiles: COc1cc(ccc1O)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)C(=O)O)c1ccccc1

STK549078
Synonyms: 3- (10- butyl- 3- methylpyridazino[3,4- b]quinoxalin- 5(10H)- yl)propan- 1- ol
Smiles: OCCCn1c2ccccc2n(c2c1cc(C)nn2)CCCC

STK549082
Synonyms: (2Z)- 3- [(2,6- dimethylphenyl)amino]- 2- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1c(C)cccc1C)/c1scc(n1)c1cc2ccccc2oc1=O

STK549086
Synonyms: 2- [(5Z)- 5- (3- fluorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 3- methylbutanoicacid
Smiles: CC(C(N1C(=S)S/C(=C\c2cccc(c2)F)/C1=O)C(=O)O)C

STK549087
Synonyms: 2- {4- [(4- hydroxyphenyl)amino]quinazolin- 2- yl}phenol
Smiles: Oc1ccc(cc1)Nc1nc(nc2c1cccc2)c1ccccc1O

STK549094
Synonyms: (2Z)- 3- [(2- fluoro- 5- nitrophenyl)amino]- 2- [4- (naphthalen- 2- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1cc(ccc1F)[N+](=O)[O-])/c1scc(n1)c1ccc2c(c1)cccc2

STK549095
Synonyms: ethyl5- amino- 1- [2- (methylsulfanyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl]- 1H- pyrazole- 4- carboxylate
Smiles: CCOC(=O)c1cnn(c1N)c1nc(SC)nc2c1c1CCCCc1s2

STK549101
Synonyms: 2- [4- (2- methoxyphenyl)- 2- (propan- 2- yl)tetrahydro- 2H- pyran- 4- yl]- 1- (morpholin- 4- yl)ethanone
Smiles: COc1ccccc1C1(CCOC(C1)C(C)C)CC(=O)N1CCOCC1

STK549113
Synonyms: (5Z)- 2- [(2- chlorophenyl)amino]- 5- (2,3- dimethoxybenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: COc1c(cccc1OC)/C=C/1\SC(=NC1=O)Nc1ccccc1Cl

STK549114
Synonyms: 3- (2- chlorophenyl)- 2- (naphthalen- 1- yl)tetrahydro- 1H,5H- pyrazolo[1,2- a][1,2,4]triazol- 1- one
Smiles: O=C1N2CCCN2C(N1c1cccc2c1cccc2)c1ccccc1Cl

STK549115
Synonyms: 4- [(5Z)- 5- (4- hydroxy- 3- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzoicacid
Smiles: COc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)C(=O)O

STK549119
Synonyms: 4- {(Z)- 2- cyano- 2- [4- (2,4- dichlorophenyl)- 1,3- thiazol- 2- yl]ethenyl}phenylacetate
Smiles: N#C/C(=C/c1ccc(cc1)OC(=O)C)/c1scc(n1)c1ccc(cc1Cl)Cl

STK549120
Synonyms: N,N- dipropyl- 2- (pyridin- 4- yl)quinazolin- 4- amine
Smiles: CCCN(c1nc(nc2c1cccc2)c1ccncc1)CCC

STK843784
Synonyms: (2Z,6E)- 2,6- bis(4- hydroxy- 3- methoxybenzylidene)cyclohexanone
Smiles: COc1cc(ccc1O)/C=C/1\CCC/C(=C/c2ccc(c(c2)OC)O)/C1=O

STK549129
Synonyms: N~2~,N~4~- dibenzyl- N~2~- methyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CN(c1nc(NCc2ccccc2)c(c(n1)N)[N+](=O)[O-])Cc1ccccc1

STK549130
Synonyms: 4- {(Z)- 2- cyano- 2- [4- (naphthalen- 2- yl)- 1,3- thiazol- 2- yl]ethenyl}phenylacetate
Smiles: N#C/C(=C/c1ccc(cc1)OC(=O)C)/c1scc(n1)c1ccc2c(c1)cccc2

STK843785
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 4- oxo- 4H- chromen- 7- yl2- bromobenzoate
Smiles: O=C(c1ccccc1Br)Oc1ccc2c(c1)occ(c2=O)c1nc2c(s1)cccc2

STK843786
Synonyms: 4- {(Z)- 2- cyano- 2- [4- (2,4- dichlorophenyl)- 1,3- thiazol- 2- yl]ethenyl}- 2- methoxyphenylacetate
Smiles: N#C/C(=C/c1ccc(c(c1)OC)OC(=O)C)/c1scc(n1)c1ccc(cc1Cl)Cl

STK549141
Synonyms: 3- bromo- N- (2- methoxyphenyl)- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: COc1ccccc1NC(=O)c1coc(=O)c(c1)Br

STK549150
Synonyms: ethyl3- (1,3- benzothiazol- 2- yl)- 7- {[(2- methoxyphenyl)carbonyl]oxy}- 8- methyl- 4- oxo- 4H- chromene- 2- carboxylate
Smiles: CCOC(=O)c1oc2c(C)c(ccc2c(=O)c1c1nc2c(s1)cccc2)OC(=O)c1ccccc1OC

STK549151
Synonyms: 3- benzyl- 5- ethyl- 2- hydrazinyl- 5- methyl- 5,6- dihydrobenzo[h]quinazolin- 4(3H)- one
Smiles: NNc1nc2c3ccccc3CC(c2c(=O)n1Cc1ccccc1)(C)CC

STK843789
Synonyms: 2- chloro- N- [(5Z)- 5- (4- hydroxy- 3- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: COc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1Cl

STK549156
Synonyms: 4- [5- (2- chloro- 6- methylquinolin- 3- yl)- 3- (thiophen- 2- yl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 4- oxobutanoicacid
Smiles: OC(=O)CCC(=O)N1N=C(CC1c1cc2cc(C)ccc2nc1Cl)c1cccs1

STK843790
Synonyms: (2Z)- 2- [4- (6- bromo- 2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]- 3- [(3,4- difluorophenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccc(c(c1)F)F)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK549161
Synonyms: (9E)- 3- (4- bromophenyl)- 9- (4- fluorobenzylidene)- 5- (4- fluorophenyl)- 7- methyl- 6,7,8,9- tetrahydro- 5H- pyrido[4,3- d][1,3]thiazolo[3,2- a]pyrimidine
Smiles: CN1C/C(=C\c2ccc(cc2)F)/C2=C(C1)C(c1ccc(cc1)F)n1c(=N2)scc1c1ccc(cc1)Br

STK549162
Synonyms: 6,6- dimethyl- 2- (methylsulfanyl)- 4- (pyrrolidin- 1- yl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CSc1nc(N2CCCC2)c2c(n1)sc1c2CC(OC1)(C)C

STK549163
Synonyms: 3- (2- {[(2- carboxyphenyl)carbonyl]amino}ethyl)- 5- fluoro- 1H- indole- 2- carboxylicacid
Smiles: Fc1ccc2c(c1)c(CCNC(=O)c1ccccc1C(=O)O)c([nH]2)C(=O)O

STK549166
Synonyms: 2- methoxyethyl4- (4- chlorophenyl)- 5- cyano- 2- methyl- 6- ({2- [(4- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- 1,4- dihydropyridine- 3- carboxylate
Smiles: COCCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1ccc(cc1)C

STK549168
Synonyms: (2E)- 2- [4- (1,3- benzodioxol- 5- yl)- 1,3- thiazol- 2- yl]- 3- [(2,4,6- trimethylphenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1c(C)cc(cc1C)C)/c1scc(n1)c1ccc2c(c1)OCO2

STK549170
Synonyms: 3- [(4- methoxy- 6- methylpyrimidin- 2- yl)oxy]- 6- [2- (4- methylphenoxy)ethoxy]pyridazine
Smiles: COc1nc(Oc2ccc(nn2)OCCOc2ccc(cc2)C)nc(c1)C

STK549173
Synonyms: 2,5- diphenyl- 7- (phenylcarbonyl)tetrahydro- 1H- cyclopenta[1,2- c:3,4- c']dipyrrole- 1,3,4,6(2H,3aH,5H)- tetrone
Smiles: O=C1N(c2ccccc2)C(=O)C2C1C1C(C2C(=O)c2ccccc2)C(=O)N(C1=O)c1ccccc1

STK549177
Synonyms: 8- chloro- 10- (2,4- dimethylphenyl)pyrimido[4,5- b]quinoline- 2,4(3H,10H)- dione
Smiles: Cc1ccc(c(c1)C)n1c2cc(Cl)ccc2cc2c1nc(=O)[nH]c2=O

STK549179
Synonyms: benzyl4- (2- chlorophenyl)- 5- cyano- 6- {[2- (diethylamino)- 2- oxoethyl]sulfanyl}- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: CCN(C(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)OCc1ccccc1)c1ccccc1Cl)CC

STK549182
Synonyms: N- [(5Z)- 5- (2- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 2- nitrobenzamide
Smiles: COc1ccccc1/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1[N+](=O)[O-]

STK843792
Synonyms: 4- ({(E)- 2- [4- (4- bromophenyl)- 1,3- thiazol- 2- yl]- 2- cyanoethenyl}amino)- N- carbamoylbenzenesulfonamide
Smiles: N#C/C(=C\Nc1ccc(cc1)S(=O)(=O)NC(=O)N)/c1scc(n1)c1ccc(cc1)Br

STK549187
Synonyms: 1- (5- methoxy- 1H- indol- 3- yl)- 2- [4- (2- methoxyphenyl)piperazin- 1- yl]propan- 1- one
Smiles: COc1ccc2c(c1)c(c[nH]2)C(=O)C(N1CCN(CC1)c1ccccc1OC)C

STK549190
Synonyms: 8- bromo- 4- [4- (3- chlorophenyl)piperazin- 1- yl]- 5H- pyrimido[5,4- b]indole
Smiles: Brc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)c1cccc(c1)Cl

STK843797
Synonyms: 1- [4- (cyclopent- 2- en- 1- yl)phenoxy]- 3- (2- methyl- 1H- benzimidazol- 1- yl)propan- 2- ol
Smiles: OC(Cn1c(C)nc2c1cccc2)COc1ccc(cc1)C1C=CCC1

STK549192
Synonyms: (5Z)- 5- (3- ethoxy- 4- hydroxybenzylidene)- 2- {[3- (trifluoromethyl)phenyl]amino}- 1,3- thiazol- 4(5H)- one
Smiles: CCOc1cc(ccc1O)/C=C/1\SC(=NC1=O)Nc1cccc(c1)C(F)(F)F

STK843798
Synonyms: (2Z)- 3- [(4- bromo- 2- fluorophenyl)amino]- 2- (4- phenyl- 1,3- thiazol- 2- yl)prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1F)Br)/c1scc(n1)c1ccccc1

STK549195
Synonyms: 4- hydrazinyl- 2- phenyl- 6- (propan- 2- yl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: NNc1nc(nc2c1c1CC(OCc1s2)C(C)C)c1ccccc1

STK549198
Synonyms: (2'R,3'R)- 3'- (2,2- dimethylpropanoyl)- 2'- (4- methoxyphenyl)- 2,2- dimethyl- 2',3'- dihydro- 10b'H- spiro[1,3- dioxane- 5,1'- pyrrolo[2,1- a]phthalazine]- 4,6- dione
Smiles: COc1ccc(cc1)[C@H]1[C@@H](N2C(C31C(=O)OC(OC3=O)(C)C)c1ccccc1C=N2)C(=O)C(C)(C)C

STK549199
Synonyms: N- (3- bromo- 4- methylphenyl)- 7- (morpholin- 4- yl)- 4- nitro- 2,1,3- benzoxadiazol- 5- amine
Smiles: [O-][N+](=O)c1c(Nc2ccc(c(c2)Br)C)cc(c2c1non2)N1CCOCC1

STK549200
Synonyms: 3,3'- carbonyldibenzoicacid
Smiles: O=C(c1cccc(c1)C(=O)O)c1cccc(c1)C(=O)O

STK843799
Synonyms: 2- (furan- 2- yl)- 4- hydroxy- 3,3- dimethyl- 1,4- diazaspiro[4.5]dec- 1- en- 6- one1- oxide
Smiles: O=C1CCCCC21[N+](=C(C(N2O)(C)C)c1ccco1)[O-]

STK549204
Synonyms: butyl4- {[(1E)- 8- hydroxy- 3- (morpholin- 4- yl)- 4- oxonaphthalen- 1(4H)- ylidene]amino}benzoate
Smiles: CCCCOC(=O)c1ccc(cc1)/N=C/1\C=C(N2CCOCC2)C(=O)c2c1c(O)ccc2

STK843801
Synonyms: N- [(5Z)- 5- (3- ethoxy- 4- hydroxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 4- fluorobenzamide
Smiles: CCOc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)F

STK549208
Synonyms: 7- (4- chlorophenyl)- 3- (4- nitrophenyl)- 1- oxa- 2,7- diazaspiro[4.4]non- 2- ene- 6,8- dione
Smiles: Clc1ccc(cc1)N1C(=O)CC2(C1=O)ON=C(C2)c1ccc(cc1)[N+](=O)[O-]

STK843802
Synonyms: dimethyl5- ({(Z)- 2- cyano- 2- [4- (4- methoxyphenyl)- 1,3- thiazol- 2- yl]ethenyl}amino)benzene- 1,3- dicarboxylate
Smiles: COc1ccc(cc1)c1csc(n1)/C(=C\Nc1cc(cc(c1)C(=O)OC)C(=O)OC)/C#N

STK843805
Synonyms: 4- (4- ethoxyphenyl)- N- (4- methoxyphenyl)phthalazin- 1- amine
Smiles: CCOc1ccc(cc1)c1nnc(c2c1cccc2)Nc1ccc(cc1)OC

STK549212
Synonyms: 1- (8- chloro- 5H- pyrimido[5,4- b]indol- 4- yl)piperidine- 4- carboxamide
Smiles: NC(=O)C1CCN(CC1)c1ncnc2c1[nH]c1c2cc(cc1)Cl

STK549215
Synonyms: 1- (naphthalen- 1- ylmethyl)- 1H- benzimidazole- 2- sulfonicacid
Smiles: OS(=O)(=O)c1nc2c(n1Cc1cccc3c1cccc3)cccc2

STK549216
Synonyms: 2- [(5Z)- 5- (2,3- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]butanoicacid
Smiles: CCC(N1C(=S)S/C(=C\c2cccc(c2OC)OC)/C1=O)C(=O)O

STK549220
Synonyms: ethyl3- ({3- [4- (4- fluorophenyl)piperazin- 1- yl]propanoyl}amino)- 5,6- dimethoxy- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)c1ccc(cc1)F)cc(c(c2)OC)OC

STK843808
Synonyms: 5- amino- 1- [(4- methylphenyl)sulfonyl]- 1H- pyrazole- 3,4- dicarbonitrile
Smiles: N#Cc1nn(c(c1C#N)N)S(=O)(=O)c1ccc(cc1)C

STK549222
Synonyms: 6- propyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: CCCC1OCc2c(C1)c1c(N)ncnc1s2

STK843809
Synonyms: 2,4- dichloro- N- [(5Z)- 5- (4- fluorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: Fc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1Cl)Cl

STK843811
Synonyms: 3- [4- (1,3- benzodioxol- 5- yl)- 1,3- thiazol- 2- yl]- 8- nitro- 2H- chromen- 2- one
Smiles: O=c1oc2c(cc1c1scc(n1)c1ccc3c(c1)OCO3)cccc2[N+](=O)[O-]

STK843813
Synonyms: 4- {(Z)- 2- cyano- 2- [4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2- yl]ethenyl}phenylacetate
Smiles: N#C/C(=C/c1ccc(cc1)OC(=O)C)/c1scc(n1)c1ccc(c(c1)OC)OC

STK549228
Synonyms: prop- 2- en- 1- yl4- (4- chlorophenyl)- 5- cyano- 6- {[2- (diphenylamino)- 2- oxoethyl]sulfanyl}- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)N(c1ccccc1)c1ccccc1

STK549243
Synonyms: N~2~- methyl- N~4~- (4- methylphenyl)- 5- nitro- N~2~- phenylpyrimidine- 2,4,6- triamine
Smiles: Cc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N(c1ccccc1)C

STK549245
Synonyms: 3- [4- (4- bromophenyl)- 1,3- thiazol- 2- yl]- 2- oxo- 2H- chromen- 7- yl2- methoxybenzoate
Smiles: COc1ccccc1C(=O)Oc1ccc2c(c1)oc(=O)c(c2)c1scc(n1)c1ccc(cc1)Br

STK549246
Synonyms: 9- chloro- 4- (2,4- dichlorophenyl)- 6- (trifluoromethyl)- 3a,4,5,9b- tetrahydro- 3H- cyclopenta[c]quinoline
Smiles: Clc1ccc(c(c1)Cl)C1Nc2c(C3C1CC=C3)c(Cl)ccc2C(F)(F)F

STK549247
Synonyms: (5Z)- 5- (2,5- dimethoxybenzylidene)- 3- (phenylamino)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1ccc(c(c1)/C=C/1\SC(=S)N(C1=O)Nc1ccccc1)OC

STK549251
Synonyms: (2E)- 3- [3,4- bis(benzyloxy)phenyl]- 2- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\c1ccc(c(c1)OCc1ccccc1)OCc1ccccc1)/c1scc(n1)c1cc2ccccc2oc1=O

STK549253
Synonyms: (5Z)- 2- [(2,3- dichlorophenyl)amino]- 5- (3- fluorobenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: Fc1cccc(c1)/C=C/1\SC(=NC1=O)Nc1cccc(c1Cl)Cl

STK843815
Synonyms: (2Z)- 2- [4- (4- bromophenyl)- 1,3- thiazol- 2- yl]- 3- (3,4,5- trimethoxyphenyl)prop- 2- enenitrile
Smiles: N#C/C(=C/c1cc(OC)c(c(c1)OC)OC)/c1scc(n1)c1ccc(cc1)Br

STK843816
Synonyms: methyl4- {(Z)- 2- cyano- 2- [4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2- yl]ethenyl}benzoate
Smiles: N#C/C(=C/c1ccc(cc1)C(=O)OC)/c1scc(n1)c1ccc(c(c1)OC)OC

STK549255
Synonyms: 2- {[2- hydroxy- 3- (3- methylphenoxy)propyl]carbamoyl}benzoicacid
Smiles: OC(CNC(=O)c1ccccc1C(=O)O)COc1cccc(c1)C

STK549256
Synonyms: methyl4- {(E)- 2- cyano- 2- [4- (naphthalen- 1- yl)- 1,3- thiazol- 2- yl]ethenyl}benzoate
Smiles: N#C/C(=C\c1ccc(cc1)C(=O)OC)/c1scc(n1)c1cccc2c1cccc2

STK549257
Synonyms: ethyl7- {[(2- methylpiperidin- 1- yl)acetyl]amino}- 5H- [1,3]dioxolo[4,5- f]indole- 6- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CCCCC1C)cc1c(c2)OCO1

STK549261
Synonyms: 4- [4- (2,3- dichlorophenyl)- 5- phenyl- 1H- imidazol- 2- yl]- 2,6- dimethoxyphenol
Smiles: COc1cc(cc(c1O)OC)c1[nH]c(c(n1)c1cccc(c1Cl)Cl)c1ccccc1

STK549262
Synonyms: [1- (3,4- diethoxybenzyl)- 6,7- diethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl](3- fluorophenyl)methanone
Smiles: CCOc1cc(ccc1OCC)CC1N(CCc2c1cc(OCC)c(c2)OCC)C(=O)c1cccc(c1)F

STK549263
Synonyms: 2- {[3- cyano- 4- (4- hydroxy- 3- methoxyphenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinolin- 2- yl]sulfanyl}- N,N- diphenylacetamide
Smiles: N#CC1=C(SCC(=O)N(c2ccccc2)c2ccccc2)NC2=C(C1c1ccc(c(c1)OC)O)C(=O)CCC2

STK549267
Synonyms: 5- methyl- 3- phenyl- N- ({2- [(2- phenylquinolin- 4- yl)carbonyl]hydrazinyl}carbonothioyl)- 1,2- oxazole- 4- carboxamide
Smiles: S=C(NC(=O)c1c(C)onc1c1ccccc1)NNC(=O)c1cc(nc2c1cccc2)c1ccccc1

STK549270
Synonyms: 2- [4- (dipropylamino)quinazolin- 2- yl]- 6- methoxyphenol
Smiles: CCCN(c1nc(nc2c1cccc2)c1cccc(c1O)OC)CCC

STK549271
Synonyms: N- [(5Z)- 5- (3- fluorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 2- nitrobenzamide
Smiles: Fc1cccc(c1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1[N+](=O)[O-]

STK843820
Synonyms: [4- amino- 2- (ethylamino)- 1,3- thiazol- 5- yl](5- chlorothiophen- 2- yl)methanone
Smiles: CCNc1nc(c(s1)C(=O)c1ccc(s1)Cl)N

STK549274
Synonyms: methyl3- {[(E)- (dimethylamino)methylidene]amino}- 5- fluoro- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1/N=C/N(C)C)cc(cc2)F

STK843821
Synonyms: (5Z)- 3- (2- ethoxyphenyl)- 5- (2- methoxybenzylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCOc1ccccc1N1C(=S)S/C(=C\c2ccccc2OC)/C1=O

STK843822
Synonyms: ethyl4- [({(2E)- 4- oxo- 2- [(2E)- (2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)hydrazinylidene]- 1,3- thiazolidin- 5- yl}acetyl)amino]benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CC1S/C(=N/N=C\2/C(=O)Nc3c2cccc3)/NC1=O

STK549277
Synonyms: 2- amino- 5- methyl- 4- phenyl- 4,5- dihydropyrano[3,2- b]indole- 3- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccccc1)n(C)c1c2cccc1

STK843823
Synonyms: (5Z)- 3- (3- methoxyphenyl)- 5- [(2E)- 2- methyl- 3- phenylprop- 2- en- 1- ylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1cccc(c1)N1C(=S)S/C(=C\C(=C\c2ccccc2)\C)/C1=O

STK549287
Synonyms: 4- (4- chloro- 2- methylphenoxy)- 2- (pyridin- 4- yl)quinazoline
Smiles: Clc1ccc(c(c1)C)Oc1nc(nc2c1cccc2)c1ccncc1

STK843824
Synonyms: N'- [(5- chlorothiophen- 2- yl)sulfonyl]benzenecarboximidamide
Smiles: Clc1ccc(s1)S(=O)(=O)/N=C(\c1ccccc1)/N

STK549290
Synonyms: 5- bromo- 3- phenyl- N'- [(E)- thiophen- 2- ylmethylidene]- 1H- indole- 2- carbohydrazide
Smiles: Brc1ccc2c(c1)c(c1ccccc1)c([nH]2)C(=O)N/N=C/c1cccs1

STK549293
Synonyms: 2- amino- 4- methyl- 9- (4- methylphenyl)- 7- oxo- 6,7,8,9- tetrahydrothieno[2,3- b:4,5- b']dipyridine- 3- carbonitrile
Smiles: N#Cc1c(N)nc2c(c1C)sc1c2C(CC(=O)N1)c1ccc(cc1)C

STK549298
Synonyms: 1,3,5- trimethyl- 5- nitro- 2,6- dioxohexahydropyrimidin- 4- ylnitrate
Smiles: [O-][N+](=O)OC1N(C)C(=O)N(C(=O)C1(C)[N+](=O)[O-])C

STK549300
Synonyms: N- [(5Z)- 5- (2,5- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 2- nitrobenzamide
Smiles: COc1ccc(c(c1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1[N+](=O)[O-])OC

STK843827
Synonyms: (2E)- 3- [(2- fluoro- 5- nitrophenyl)amino]- 2- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cc(ccc1F)[N+](=O)[O-])/c1scc(n1)c1cc2ccccc2oc1=O

STK549302
Synonyms: 2- methylquinolin- 8- yldiethylcarbamate
Smiles: CCN(C(=O)Oc1cccc2c1nc(C)cc2)CC

STK843828
Synonyms: 2- [4- (2- methoxyphenyl)- 2- (propan- 2- yl)tetrahydro- 2H- pyran- 4- yl]- N- (1,3- thiazol- 2- yl)acetamide
Smiles: COc1ccccc1C1(CCOC(C1)C(C)C)CC(=O)Nc1nccs1

STK843830
Synonyms: 1- (4- ethoxyphenyl)- 4- (morpholin- 4- yl)phthalazine
Smiles: CCOc1ccc(cc1)c1nnc(c2c1cccc2)N1CCOCC1

STK549314
Synonyms: (5Z)- 3- (2- chlorophenyl)- 5- [(2E)- 2- methyl- 3- phenylprop- 2- en- 1- ylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: C/C(=C\c1ccccc1)/C=C/1\SC(=S)N(C1=O)c1ccccc1Cl

STK843831
Synonyms: (2Z)- 3- [(4- bromo- 2- fluorophenyl)amino]- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1F)Br)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK549319
Synonyms: 4- (2- chlorophenyl)- 2- phenyl- 6- (propylsulfanyl)pyridine- 3,5- dicarbonitrile
Smiles: CCCSc1nc(c2ccccc2)c(c(c1C#N)c1ccccc1Cl)C#N

STK549323
Synonyms: 4- [4- (propan- 2- yl)phenoxy]- 2- (pyridin- 2- yl)quinazoline
Smiles: CC(c1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccccn1)C

STK843835
Synonyms: 2- methoxy- 6- {4- [(2- methoxyethyl)amino]quinazolin- 2- yl}phenol
Smiles: COCCNc1nc(nc2c1cccc2)c1cccc(c1O)OC

STK843836
Synonyms: N- [(5Z)- 5- (3- ethoxy- 4- hydroxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 4- hydroxybenzamide
Smiles: CCOc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)O

STK843837
Synonyms: N- [2- hydroxy- 3- (morpholin- 4- yl)propyl]- N- (2- methoxyphenyl)benzenesulfonamide
Smiles: COc1ccccc1N(S(=O)(=O)c1ccccc1)CC(CN1CCOCC1)O

STK549333
Synonyms: prop- 2- en- 1- yl5- cyano- 4- (furan- 2- yl)- 6- ({2- [(3- methoxyphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1cccc(c1)OC

STK549334
Synonyms: (5Z)- 5- (3- ethoxy- 4- hydroxybenzylidene)- 2- [(4- methylphenyl)amino]- 1,3- thiazol- 4(5H)- one
Smiles: CCOc1cc(ccc1O)/C=C/1\SC(=NC1=O)Nc1ccc(cc1)C

STK549338
Synonyms: 2- methoxyethyl4- (4- chlorophenyl)- 5- cyano- 2- methyl- 6- {[2- oxo- 2- (phenylamino)ethyl]sulfanyl}- 1,4- dihydropyridine- 3- carboxylate
Smiles: COCCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1ccccc1

STK549340
Synonyms: N- (4- methoxyphenyl)- 2- (morpholin- 4- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: COc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCOCC1

STK549343
Synonyms: (5Z)- 2- [(4- chlorophenyl)amino]- 5- (thiophen- 2- ylmethylidene)- 1,3- thiazol- 4(5H)- one
Smiles: Clc1ccc(cc1)NC1=NC(=O)/C(=C/c2cccs2)/S1