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GK1

GK1
Name:	4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde
Formula:	C20 H15 N3 O2 S
SMILES:	O=Cc4nc(c3ccc2c(nccc2Nc1cc(O)ccc1C)c3)cs4
InChi:	InChI=1S/C20H15N3O2S/c1-12-2-4-14(25)9-17(12)22-16-6-7-21-18-8-13(3-5-15(16)18)19-11-26-20(10-24)23-19/h2-11,25H,1H3,(H,21,22)
Definition date:	2007-10-15
Last modified:	2011-06-04
Identifier:	4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde

GNQ

GNQ
Name:	N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE
Formula:	C25 H31 F3 N4 O6 S
SMILES:	O=C(NC(C(=O)NC(C)CNc1ccc(OC(F)(F)F)cc1)CS(=O)(=O)Cc2ccccc2)N3CCOCC3
InChi:	InChI=1S/C25H31F3N4O6S/c1-18(15-29-20-7-9-21(10-8-20)38-25(26,27)28)30-23(33)22(31-24(34)32-11-13-37-14-12-32)17-39(35,36)16-19-5-3-2-4-6-19/h2-10,18,22,29H,11-17H2,1H3,(H,30,33)(H,31,34)/t18-,22-/m0/s1
Definition date:	2006-06-28
Last modified:	2011-06-04
Identifier:	N-[(1R)-1-[(benzylsulfonyl)methyl]-2-{[(1S)-1-methyl-2-{[4-(trifluoromethoxy)phenyl]amino}ethyl]amino}-2-oxoethyl]morpholine-4-carboxamide

GS5

GS5
Name:	5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE
Formula:	C19 H22 Cl N3 O5 S2
SMILES:	O=C(N1CCOCC1)C(N4C(=O)C(NS(=O)(=O)c3sc2ccc(Cl)cc2c3)CC4)C
InChi:	InChI=1S/C19H22ClN3O5S2/c1-12(18(24)22-6-8-28-9-7-22)23-5-4-15(19(23)25)21-30(26,27)17-11-13-10-14(20)2-3-16(13)29-17/h2-3,10-12,15,21H,4-9H2,1H3/t12-,15-/m0/s1
Definition date:	2006-08-18
Last modified:	2011-06-04
Identifier:	5-chloro-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide

GS6

GS6
Name:	6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE
Formula:	C19 H22 Cl N3 O5 S2
SMILES:	O=C(N1CCOCC1)C(N4C(=O)C(NS(=O)(=O)c3sc2cc(Cl)ccc2c3)CC4)C
InChi:	InChI=1S/C19H22ClN3O5S2/c1-12(18(24)22-6-8-28-9-7-22)23-5-4-15(19(23)25)21-30(26,27)17-10-13-2-3-14(20)11-16(13)29-17/h2-3,10-12,15,21H,4-9H2,1H3/t12-,15-/m0/s1
Definition date:	2006-08-18
Last modified:	2011-06-04
Identifier:	6-chloro-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide

GSK

GSK
Name:	6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-(4-MORPHOLINYL)-2-OXO ETHYL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE
Formula:	C21 H24 Cl N3 O5 S
SMILES:	O=C(N1CCOCC1)C(N4C(=O)C(NS(=O)(=O)c3cc2ccc(Cl)cc2cc3)CC4)C
InChi:	InChI=1S/C21H24ClN3O5S/c1-14(20(26)24-8-10-30-11-9-24)25-7-6-19(21(25)27)23-31(28,29)18-5-3-15-12-17(22)4-2-16(15)13-18/h2-5,12-14,19,23H,6-11H2,1H3/t14-,19-/m0/s1
Definition date:	2006-04-03
Last modified:	2011-06-04
Identifier:	6-chloro-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulfonamide

GSQ

GSQ
Name:	5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-SULFONAMIDE
Formula:	C19 H23 Cl N4 O5 S
SMILES:	O=C(N1CCOCC1)C(N4C(=O)C(NS(=O)(=O)c3cc2cc(Cl)ccc2n3)CC4)C
InChi:	InChI=1S/C19H23ClN4O5S/c1-12(18(25)23-6-8-29-9-7-23)24-5-4-16(19(24)26)22-30(27,28)17-11-13-10-14(20)2-3-15(13)21-17/h2-3,10-12,16,21-22H,4-9H2,1H3/t12-,16-/m0/s1
Definition date:	2006-08-17
Last modified:	2011-06-04
Identifier:	5-chloro-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-1H-indole-2-sulfonamide

GSX

GSX
Name:	5'-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-2,2'-BITHIOPHENE-5-SULFONAMIDE
Formula:	C19 H22 Cl N3 O5 S3
SMILES:	Clc4sc(c1sc(cc1)S(=O)(=O)NC3C(=O)N(C(C(=O)N2CCOCC2)C)CC3)cc4
InChi:	InChI=1S/C19H22ClN3O5S3/c1-12(18(24)22-8-10-28-11-9-22)23-7-6-13(19(23)25)21-31(26,27)17-5-3-15(30-17)14-2-4-16(20)29-14/h2-5,12-13,21H,6-11H2,1H3/t12-,13-/m0/s1
Definition date:	2006-11-02
Last modified:	2011-06-04
Identifier:	5'-chloro-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-2,2'-bithiophene-5-sulfonamide

GVD

GVD
Name:	[4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIEN-1-YL]ACETONITRILE
Formula:	C22 H19 N7
SMILES:	N#CCC5C=CC(=N/c2nc1c(cccc1)c(n2)Nc3nnc(c3)C4CC4)C=C5
InChi:	InChI=1S/C22H19N7/c23-12-11-14-5-9-16(10-6-14)24-22-25-18-4-2-1-3-17(18)21(27-22)26-20-13-19(28-29-20)15-7-8-15/h1-6,9-10,13-15H,7-8,11H2,(H2,25,26,27,28,29)/b24-16-/t14-/m0/s1
Definition date:	2007-03-08
Last modified:	2011-06-04
Identifier:	[(1S,4E)-4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}imino)cyclohexa-2,5-dien-1-yl]acetonitrile

GWB

GWB
Name:	4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO-3-ISOPROPYLQUINOLIN-2(1H)-ONE
Formula:	C17 H16 F N O2
SMILES:	Fc3ccc2c(C(OC#CC1CC1)=C(C(=O)N2)C(C)C)c3
InChi:	InChI=1S/C17H16FNO2/c1-10(2)15-16(21-8-7-11-3-4-11)13-9-12(18)5-6-14(13)19-17(15)20/h5-6,9-11H,3-4H2,1-2H3,(H,19,20)
Definition date:	2004-07-22
Last modified:	2011-06-04
Identifier:	4-[(cyclopropylethynyl)oxy]-6-fluoro-3-(1-methylethyl)quinolin-2(1H)-one

H12

H12
Name:	6-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQUINOLIN-2(1H)-ONE
Formula:	C18 H22 Cl N O2
SMILES:	Clc3ccc2c(C(OC1CCCCC1)=C(C(=O)N2)CCC)c3
InChi:	InChI=1S/C18H22ClNO2/c1-2-6-14-17(22-13-7-4-3-5-8-13)15-11-12(19)9-10-16(15)20-18(14)21/h9-11,13H,2-8H2,1H3,(H,20,21)
Definition date:	2004-07-22
Last modified:	2011-06-04
Identifier:	6-chloro-4-(cyclohexyloxy)-3-propylquinolin-2(1H)-one

H16

H16
Name:	6-CHLORO-4-(CYCLOHEXYLSULFANYL)-3-PROPYLQUINOLIN-2(1H)-ONE
Formula:	C18 H22 Cl N O S
SMILES:	Clc3ccc2c(C(SC1CCCCC1)=C(C(=O)N2)CCC)c3
InChi:	InChI=1S/C18H22ClNOS/c1-2-6-14-17(22-13-7-4-3-5-8-13)15-11-12(19)9-10-16(15)20-18(14)21/h9-11,13H,2-8H2,1H3,(H,20,21)
Definition date:	2004-07-22
Last modified:	2011-06-04
Identifier:	6-chloro-4-(cyclohexylsulfanyl)-3-propylquinolin-2(1H)-one

H20

H20
Name:	6-CHLORO-4-(CYCLOHEXYLOXY)-3-ISOPROPYLQUINOLIN-2(1H)-ONE
Formula:	C18 H22 Cl N O2
SMILES:	Clc3ccc2c(C(OC1CCCCC1)=C(C(=O)N2)C(C)C)c3
InChi:	InChI=1S/C18H22ClNO2/c1-11(2)16-17(22-13-6-4-3-5-7-13)14-10-12(19)8-9-15(14)20-18(16)21/h8-11,13H,3-7H2,1-2H3,(H,20,21)
Definition date:	2004-07-22
Last modified:	2011-06-04
Identifier:	6-chloro-4-(cyclohexyloxy)-3-(1-methylethyl)quinolin-2(1H)-one

306

306
Name:	3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-6-(1H-PYRAZOL-4-YL)QUINOLIN-2(1H)-ONE
Formula:	C26 H25 N5 O
SMILES:	O=C2Nc6ccc(c1cnnc1)cc6C=C2c4cc3cc(ccc3n4)CN5CCCCC5
InChi:	InChI=1S/C26H25N5O/c32-26-22(12-20-11-18(5-7-24(20)30-26)21-14-27-28-15-21)25-13-19-10-17(4-6-23(19)29-25)16-31-8-2-1-3-9-31/h4-7,10-15,29H,1-3,8-9,16H2,(H,27,28)(H,30,32)
Definition date:	2006-08-07
Last modified:	2011-06-04
Identifier:	3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-(1H-pyrazol-4-yl)quinolin-2(1H)-one

30B

30B
Name:	(2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
Formula:	C38 H47 N5 O7 S2
SMILES:	COc1ccc2c(O[CH]3C[CH]4[CH](C3)C(=O)N(C)CCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O)C6CC6)cc(nc2c1C)c7scc(n7)C(C)C
InChi:	InChI=1S/C38H47N5O7S2/c1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25/h8,10,13-14,18,20-21,23-25,27-28H,6-7,9,11-12,15-17,19H2,1-5H3,(H,41,44)(H,42,46)/b10-8-/t23-,24-,27-,28-,38-/m1/s1
Definition date:	2009-11-06
Last modified:	2011-06-04

H52

H52
Name:	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE
Formula:	C16 H21 N3 O2 S
SMILES:	O=S(=O)(c2c1c(cncc1ccc2)C)N3C(CNCCC3)C
InChi:	InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1
Definition date:	2003-08-26
Last modified:	2011-06-04
Identifier:	4-methyl-5-{[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl}isoquinoline

H5S

H5S
Name:	(5S)-5-tert-butyl-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-3-[8-(methylsulfonyl)-1,1-dioxido-6,7,8,9-tetrahydroisothiazolo[4,5-h]isoquinolin-3-yl]-1,5-dihydro-2H-pyrrol-2-one
Formula:	C27 H30 F N3 O6 S2
SMILES:	Fc1ccc(cc1C)CN5C(=O)C(C3=NS(=O)(=O)c2c4c(ccc23)CCN(C4)S(=O)(=O)C)=C(O)C5C(C)(C)C
InChi:	InChI=1S/C27H30FN3O6S2/c1-15-12-16(6-9-20(15)28)13-31-25(27(2,3)4)23(32)21(26(31)33)22-18-8-7-17-10-11-30(38(5,34)35)14-19(17)24(18)39(36,37)29-22/h6-9,12,25,32H,10-11,13-14H2,1-5H3/t25-/m1/s1
Definition date:	2009-04-29
Last modified:	2011-06-04
Identifier:	(5S)-5-tert-butyl-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-3-[8-(methylsulfonyl)-1,1-dioxido-6,7,8,9-tetrahydroisothiazolo[4,5-h]isoquinolin-3-yl]-1,5-dihydro-2H-pyrrol-2-one

332

332
Name:	(3R)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
Formula:	C17 H19 N3 O2 S
SMILES:	N1=C(N)c4sccc4OCC1COc2cc3c(cc2)CCNC3
InChi:	InChI=1S/C17H19N3O2S/c18-17-16-15(4-6-23-16)22-10-13(20-17)9-21-14-2-1-11-3-5-19-8-12(11)7-14/h1-2,4,6-7,13,19H,3,5,8-10H2,(H2,18,20)/t13-/m1/s1
Definition date:	2008-09-26
Last modified:	2011-06-04
Identifier:	(3R)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine

344

344
Name:	6-AMINO-3,7-DIHYDRO-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE
Formula:	C9 H7 N5 O
SMILES:	O=C1c3c(N=C(N)N1)cc2c(ncn2)c3
InChi:	InChI=1S/C9H7N5O/c10-9-13-5-2-7-6(11-3-12-7)1-4(5)8(15)14-9/h1-3H,(H,11,12)(H3,10,13,14,15)
Definition date:	2005-10-18
Last modified:	2011-06-04
Identifier:	6-amino-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

34Q

34Q
Name:	(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine
Formula:	C18 H21 N5 O2
SMILES:	O=C(N1CCCC1)C4C(N)CN(C(=O)c2nc3c(nc2)cccc3)C4
InChi:	InChI=1S/C18H21N5O2/c19-13-11-23(10-12(13)17(24)22-7-3-4-8-22)18(25)16-9-20-14-5-1-2-6-15(14)21-16/h1-2,5-6,9,12-13H,3-4,7-8,10-11,19H2/t12-,13+/m1/s1
Definition date:	2008-02-06
Last modified:	2011-06-04
Identifier:	(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine

34T

34T
Name:	(3R)-8-(dioxidosulfanyl)-3-methyl-1,2,3,4-tetrahydroquinoline
Formula:	C10 H13 N O2 S
SMILES:	C[CH]1CNc2c(C1)cccc2[SH](=O)=O
InChi:	InChI=1S/C10H13NO2S/c1-7-5-8-3-2-4-9(14(12)13)10(8)11-6-7/h2-4,7,11,14H,5-6H2,1H3/t7-/m1/s1
Definition date:	2008-10-31
Last modified:	2011-06-04
Identifier:	(3R)-8-hydrosulfonyl-3-methyl-1,2,3,4-tetrahydroquinoline

354

354
Name:	N-[(S)-(4-{[(2-AMINO-4-HYDROXYQUINAZOLIN-6-YL)(DIHYDROXY)-LAMBDA~4~-SULFANYL]AMINO}PHENYL)(HYDROXY)METHYL]-L-GLUTAMIC ACID
Formula:	C20 H23 N5 O8 S
SMILES:	O=C(O)C(NC(O)c1ccc(cc1)NS(O)(O)c3cc2c(nc(nc2O)N)cc3)CCC(=O)O
InChi:	InChI=1S/C20H23N5O8S/c21-20-23-14-6-5-12(9-13(14)18(29)24-20)34(32,33)25-11-3-1-10(2-4-11)17(28)22-15(19(30)31)7-8-16(26)27/h1-6,9,15,17,22,25,28,32-33H,7-8H2,(H,26,27)(H,30,31)(H3,21,23,24,29)/t15-,17?/m0/s1
Definition date:	2003-04-24
Last modified:	2011-06-04
Identifier:	N-[(S)-(4-{[(2-amino-4-hydroxyquinazolin-6-yl)(dihydroxy)-lambda~4~-sulfanyl]amino}phenyl)(hydroxy)methyl]-L-glutamic acid

358

358
Name:	1-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUOROPHENYL)-7-PIPERIDIN-4-YL-3,4-DIHYDROQUINOLIN-2(1H)-ONE
Formula:	C26 H22 Cl2 F2 N2 O
SMILES:	Fc1ccc(c(F)c1)c2cc(cc3c2CCC(=O)N3c4c(Cl)cccc4Cl)C5CCNCC5
InChi:	InChI=1S/C26H22Cl2F2N2O/c27-21-2-1-3-22(28)26(21)32-24-13-16(15-8-10-31-11-9-15)12-20(19(24)6-7-25(32)33)18-5-4-17(29)14-23(18)30/h1-5,12-15,31H,6-11H2
Definition date:	2003-03-27
Last modified:	2011-06-04
Identifier:	1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-piperidin-4-yl-3,4-dihydroquinolin-2(1H)-one

HAZ

HAZ
Name:	4-{4-[2-(1A,7A-DIMETHYL-4-OXY-OCTAHYDRO-1-OXA-4-AZA-CYCLOPROPA[A]NAPHTHALEN-4-YL) -ACETYLAMINO]-PHENYLCARBAMOYL}-BUTYRIC ACID
Formula:	C24 H33 N3 O6
SMILES:	O=C(O)CCCC(=O)Nc1ccc(cc1)NC(=O)C[N+]2([O-])C3C(CCC2)(C4OC4(CC3)C)C
InChi:	InChI=1S/C24H33N3O6/c1-23-12-4-14-27(32,18(23)11-13-24(2)22(23)33-24)15-20(29)26-17-9-7-16(8-10-17)25-19(28)5-3-6-21(30)31/h7-10,18,22H,3-6,11-15H2,1-2H3,(H,25,28)(H,26,29)(H,30,31)/t18-,22+,23+,24-,27+/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	5-{[4-({[(1aR,3aR,4S,7aS,7bS)-1a,7a-dimethyl-4-oxidodecahydrooxireno[f]quinolin-4-yl]acetyl}amino)phenyl]amino}-5-oxopentanoic acid

HBQ

HBQ
Name:	ISOPROPYL (2S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE
Formula:	C14 H17 F N2 O3
SMILES:	Fc1ccc2c(c1)N(C(=O)OC(C)C)C(C(=O)N2)CC
InChi:	InChI=1S/C14H17FN2O3/c1-4-11-13(18)16-10-6-5-9(15)7-12(10)17(11)14(19)20-8(2)3/h5-8,11H,4H2,1-3H3,(H,16,18)/t11-/m0/s1
Definition date:	2007-02-01
Last modified:	2011-06-04
Identifier:	1-methylethyl (2S)-2-ethyl-7-fluoro-3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxylate

373

373
Name:	3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-2(1H)-ONE
Formula:	C24 H26 N4 O
SMILES:	O=C1Nc5ccccc5C=C1c3cc2cc(ccc2n3)CN4CCC(CC4)CN
InChi:	InChI=1S/C24H26N4O/c25-14-16-7-9-28(10-8-16)15-17-5-6-22-19(11-17)13-23(26-22)20-12-18-3-1-2-4-21(18)27-24(20)29/h1-6,11-13,16,26H,7-10,14-15,25H2,(H,27,29)
Definition date:	2006-08-07
Last modified:	2011-06-04
Identifier:	3-(5-{[4-(aminomethyl)piperidin-1-yl]methyl}-1H-indol-2-yl)quinolin-2(1H)-one

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