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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

L8V

L8V
Name:	2-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}amino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
Formula:	C23 H16 F3 N5 O2
SMILES:	Nc1cc(Oc2ccc(Nc3ncccc3C(=O)Nc4ccc(F)cc4F)cc2F)ccn1
InChi:	InChI=1S/C23H16F3N5O2/c24-13-3-5-19(17(25)10-13)31-23(32)16-2-1-8-29-22(16)30-14-4-6-20(18(26)11-14)33-15-7-9-28-21(27)12-15/h1-12H,(H2,27,28)(H,29,30)(H,31,32)
Definition date:	2010-01-12
Last modified:	2011-06-04
Identifier:	2-[[4-(2-azanylpyridin-4-yl)oxy-3-fluoro-phenyl]amino]-N-(2,4-difluorophenyl)pyridine-3-carboxamide

349

349
Name:	5-{[4-{[2-(pyrrolidin-1-ylsulfonyl)benzyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,3-dihydro-2H-indol-2-one
Formula:	C24 H21 F3 N6 O3 S
SMILES:	O=S(=O)(c1ccccc1CNc2nc(ncc2C(F)(F)F)NC=4C=CC3=NC(=O)C=C3C=4)N5CCCC5
InChi:	InChI=1S/C24H21F3N6O3S/c25-24(26,27)18-14-29-23(30-17-7-8-19-16(11-17)12-21(34)31-19)32-22(18)28-13-15-5-1-2-6-20(15)37(35,36)33-9-3-4-10-33/h1-2,5-8,11-12,14H,3-4,9-10,13H2,(H2,28,29,30,32)
Definition date:	2008-10-15
Last modified:	2011-06-04
Identifier:	5-{[4-{[2-(pyrrolidin-1-ylsulfonyl)benzyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-2H-indol-2-one

164

164
Name:	2-(3-CARBOXYPROPIONYL)-6-HYDROXY-CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID
Formula:	C11 H12 O6
SMILES:	O=C(C1=CC=CC(O)C1C(=O)O)CCC(=O)O
InChi:	InChI=1S/C11H12O6/c12-7(4-5-9(14)15)6-2-1-3-8(13)10(6)11(16)17/h1-3,8,10,13H,4-5H2,(H,14,15)(H,16,17)/t8-,10-/m1/s1
Definition date:	2003-11-19
Last modified:	2011-06-04
Identifier:	(1R,6R)-2-(3-carboxypropanoyl)-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid

34D

34D
Name:	3,5-DIHYDROXYBENZOATE
Formula:	C7 H6 O4
SMILES:	O=C(O)c1cc(O)cc(O)c1
InChi:	InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)
Definition date:	2005-07-25
Last modified:	2011-06-04
Identifier:	3,5-dihydroxybenzoic acid

165

165
Name:	N-(BENZYLSULFONYL)-3-CYCLOHEXYLALANYL-N-(2-AMINO-1,3-BENZOTHIAZOL-6-YL)PROLINAMIDE
Formula:	C28 H35 N5 O4 S2
SMILES:	O=S(=O)(NC(C(=O)N1CCCC1C(=O)Nc2ccc3nc(sc3c2)N)CC4CCCCC4)Cc5ccccc5
InChi:	InChI=1S/C28H35N5O4S2/c29-28-31-22-14-13-21(17-25(22)38-28)30-26(34)24-12-7-15-33(24)27(35)23(16-19-8-3-1-4-9-19)32-39(36,37)18-20-10-5-2-6-11-20/h2,5-6,10-11,13-14,17,19,23-24,32H,1,3-4,7-9,12,15-16,18H2,(H2,29,31)(H,30,34)/t23-,24+/m1/s1
Definition date:	2004-02-17
Last modified:	2011-06-04
Identifier:	N-(benzylsulfonyl)-3-cyclohexyl-D-alanyl-N-(2-amino-1,3-benzothiazol-6-yl)-L-prolinamide

34N

34N
Name:	4-cyano-N-{(3S)-3-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]propyl}benzamide
Formula:	C24 H21 F N2 O3 S
SMILES:	O=S(=O)(c1ccc(cc1)C(c2ccc(F)cc2)CCNC(=O)c3ccc(C#N)cc3)C
InChi:	InChI=1S/C24H21FN2O3S/c1-31(29,30)22-12-8-19(9-13-22)23(18-6-10-21(25)11-7-18)14-15-27-24(28)20-4-2-17(16-26)3-5-20/h2-13,23H,14-15H2,1H3,(H,27,28)/t23-/m0/s1
Definition date:	2009-07-01
Last modified:	2011-06-04
Identifier:	4-cyano-N-{(3S)-3-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]propyl}benzamide

34O

34O
Name:	2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole
Formula:	C17 H13 F N2 O4 S
SMILES:	Fc1c(OC)ccc(c1)CSc2nnc(o2)c3ccc4OCOc4c3
InChi:	InChI=1S/C17H13FN2O4S/c1-21-13-4-2-10(6-12(13)18)8-25-17-20-19-16(24-17)11-3-5-14-15(7-11)23-9-22-14/h2-7H,8-9H2,1H3
Definition date:	2008-11-13
Last modified:	2011-06-04
Identifier:	2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole

16H

16H
Name:	N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]hexadecanamide
Formula:	C26 H45 N O3
SMILES:	O=C(NC(CC(O)c1ccccc1)CO)CCCCCCCCCCCCCCC
InChi:	InChI=1S/C26H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-26(30)27-24(22-28)21-25(29)23-18-15-14-16-19-23/h14-16,18-19,24-25,28-29H,2-13,17,20-22H2,1H3,(H,27,30)/t24-,25-/m1/s1
Definition date:	2009-04-22
Last modified:	2011-06-04
Identifier:	N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]hexadecanamide

L9G

L9G
Name:	3-{6-[2-(2,4-difluorophenyl)ethyl][1,2,4]triazolo[4,3-a]pyridin-3-yl}-4-methylbenzamide
Formula:	C22 H18 F2 N4 O
SMILES:	Fc1ccc(c(F)c1)CCc3ccc4nnc(c2cc(C(=O)N)ccc2C)n4c3
InChi:	InChI=1S/C22H18F2N4O/c1-13-2-5-16(21(25)29)10-18(13)22-27-26-20-9-4-14(12-28(20)22)3-6-15-7-8-17(23)11-19(15)24/h2,4-5,7-12H,3,6H2,1H3,(H2,25,29)
Definition date:	2009-10-28
Last modified:	2011-06-04
Identifier:	3-{6-[2-(2,4-difluorophenyl)ethyl][1,2,4]triazolo[4,3-a]pyridin-3-yl}-4-methylbenzamide

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

L9L

L9L
Name:	5-[2-({(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl}amino)-1,3-thiazol-5-yl]-1,3-dihydro-2H-indol-2-one
Formula:	C21 H19 F3 N4 O S
SMILES:	FC(F)(F)c1ccc(cc1)CC(N)CNc2ncc(s2)c4ccc3NC(=O)Cc3c4
InChi:	InChI=1S/C21H19F3N4OS/c22-21(23,24)15-4-1-12(2-5-15)7-16(25)10-26-20-27-11-18(30-20)13-3-6-17-14(8-13)9-19(29)28-17/h1-6,8,11,16H,7,9-10,25H2,(H,26,27)(H,28,29)/t16-/m0/s1
Definition date:	2010-04-21
Last modified:	2011-06-04
Identifier:	5-[2-({(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl}amino)-1,3-thiazol-5-yl]-1,3-dihydro-2H-indol-2-one

L9M

L9M
Name:	(2S)-N~1~-[5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine
Formula:	C20 H22 N6 S
SMILES:	Cc1ccc(C[CH](N)CNc2sc(nn2)c3ccc4[nH]nc(C)c4c3)cc1
InChi:	InChI=1S/C20H22N6S/c1-12-3-5-14(6-4-12)9-16(21)11-22-20-26-25-19(27-20)15-7-8-18-17(10-15)13(2)23-24-18/h3-8,10,16H,9,11,21H2,1-2H3,(H,22,26)(H,23,24)/t16-/m0/s1
Definition date:	2010-01-19
Last modified:	2011-06-04
Identifier:	(2S)-N1-[5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine

L9N

L9N
Name:	(2S)-N~1~-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine
Formula:	C19 H20 N6 S
SMILES:	n1nc(sc1c3ccc2nncc2c3)NCC(N)Cc4ccc(cc4)C
InChi:	InChI=1S/C19H20N6S/c1-12-2-4-13(5-3-12)8-16(20)11-21-19-25-24-18(26-19)14-6-7-17-15(9-14)10-22-23-17/h2-7,9-10,16H,8,11,20H2,1H3,(H,21,25)(H,22,23)/t16-/m0/s1
Definition date:	2010-04-21
Last modified:	2011-06-04
Identifier:	(2S)-N~1~-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine

34Z

34Z
Name:	3,4-dichlorobenzoate
Formula:	C7 H4 Cl2 O2
SMILES:	Clc1ccc(C(=O)O)cc1Cl
InChi:	InChI=1S/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
Definition date:	2007-10-29
Last modified:	2011-06-04
Identifier:	3,4-dichlorobenzoic acid

351

351
Name:	1-(3-{5-[4-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-3-(2-phenoxyphenyl)urea
Formula:	C33 H27 N5 O2
SMILES:	O=C(Nc2ccccc2Oc1ccccc1)Nc6cccc(c4c3cc(cnc3nc4)c5ccc(cc5)CN)c6
InChi:	InChI=1S/C33H27N5O2/c34-19-22-13-15-23(16-14-22)25-18-28-29(21-36-32(28)35-20-25)24-7-6-8-26(17-24)37-33(39)38-30-11-4-5-12-31(30)40-27-9-2-1-3-10-27/h1-18,20-21H,19,34H2,(H,35,36)(H2,37,38,39)
Definition date:	2008-10-16
Last modified:	2011-06-04
Identifier:	1-(3-{5-[4-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-3-(2-phenoxyphenyl)urea

353

353
Name:	N-{4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl}-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
Formula:	C25 H19 Cl F2 N4 O4
SMILES:	Clc4c(nccc4Oc1ccc(cc1F)NC(=O)C3=C(OCC)C=CN(c2ccc(F)cc2)C3=O)N
InChi:	InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)
Definition date:	2008-11-20
Last modified:	2011-06-04
Identifier:	N-{4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl}-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide

16U

16U
Name:	N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide
Formula:	C18 H25 Cl N2 O2
SMILES:	O=C(NCc1cccc(Cl)c1)C2N(C(=O)CCC(C)C)CCC2
InChi:	InChI=1S/C18H25ClN2O2/c1-13(2)8-9-17(22)21-10-4-7-16(21)18(23)20-12-14-5-3-6-15(19)11-14/h3,5-6,11,13,16H,4,7-10,12H2,1-2H3,(H,20,23)/t16-/m0/s1
Definition date:	2008-07-16
Last modified:	2011-06-04
Identifier:	N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide

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

L9X

L9X
Name:	L-gamma-glutamyl-S-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-L-cysteinylglycine
Formula:	C16 H24 N4 O8 S
SMILES:	CCN1C(=O)C[CH](SC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O)C1=O
InChi:	InChI=1S/C16H24N4O8S/c1-2-20-12(22)5-10(15(20)26)29-7-9(14(25)18-6-13(23)24)19-11(21)4-3-8(17)16(27)28/h8-10H,2-7,17H2,1H3,(H,18,25)(H,19,21)(H,23,24)(H,27,28)/t8-,9-,10+/m0/s1
Definition date:	2010-01-18
Last modified:	2011-06-04
Identifier:	2-azanyl-5-[[(2R)-1-(carboxymethylamino)-3-[(3R)-1-ethyl-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic 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

359

359
Name:	3-[[3-[(2R)-3-[[(2S)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxo-pentan-2-yl]amino]-2-(ethylsulfonylamino)-3-oxo-propyl]-1H-indol-5-yl]oxymethyl]benzoic acid
Formula:	C34 H39 N7 O8 S
SMILES:	O=C(NCc1ccc(C(=[N@H])N)cc1)C(NC(=O)C(NS(=O)(=O)CC)Cc4c3cc(OCc2cc(C(=O)O)ccc2)ccc3nc4)CCC(=O)N
InChi:	InChI=1S/C34H39N7O8S/c1-2-50(47,48)41-29(33(44)40-28(12-13-30(35)42)32(43)39-17-20-6-8-22(9-7-20)31(36)37)15-24-18-38-27-11-10-25(16-26(24)27)49-19-21-4-3-5-23(14-21)34(45)46/h3-11,14,16,18,28-29,38,41H,2,12-13,15,17,19H2,1H3,(H2,35,42)(H3,36,37)(H,39,43)(H,40,44)(H,45,46)/t28-,29+/m0/s1
Definition date:	2009-02-27
Last modified:	2011-06-04
Identifier:	5-[(3-carboxybenzyl)oxy]-N-(ethylsulfonyl)-D-tryptophyl-N~1~-(4-carbamimidoylbenzyl)-L-glutamamide

170

170
Name:	(2-[6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDOPYRIDIN-2-YL)ETHYL]AMINO}-2-OXOPYRAZIN-1(2H)-YL]-N-[5-CHLORO-2-(1H-TETRAZOL-1-YL)BENZYL]ACETAMIDE
Formula:	C21 H17 Cl2 F2 N9 O3
SMILES:	[O-][n+]1ccccc1C(F)(F)CNC2=NC=C(Cl)N(C2=O)CC(=O)NCc3cc(Cl)ccc3n4nnnc4
InChi:	InChI=1S/C21H17Cl2F2N9O3/c22-14-4-5-15(33-12-29-30-31-33)13(7-14)8-26-18(35)10-32-17(23)9-27-19(20(32)36)28-11-21(24,25)16-3-1-2-6-34(16)37/h1-7,9,12H,8,10-11H2,(H,26,35)(H,27,28)
Definition date:	2004-03-19
Last modified:	2011-06-04
Identifier:	2-[6-chloro-3-{[2,2-difluoro-2-(1-oxidopyridin-2-yl)ethyl]amino}-2-oxopyrazin-1(2H)-yl]-N-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]acetamide

35A

35A
Name:	N-[(5R,14R)-5-AMINO-5,14-DIMETHYL-4-OXO-3-OXA-18-AZATRICYCLO[15.3.1.1~7,11~]DOCOSA-1(21),7(22),8,10,17,19-HEXAEN-19-YL]-N-METHYLMETHANESULFONAMIDE
Formula:	C24 H33 N3 O4 S
SMILES:	O=S(=O)(N(c1nc3cc(c1)COC(=O)C(N)(C)Cc2cccc(c2)CCC(CC3)C)C)C
InChi:	InChI=1S/C24H33N3O4S/c1-17-8-10-18-6-5-7-19(12-18)15-24(2,25)23(28)31-16-20-13-21(11-9-17)26-22(14-20)27(3)32(4,29)30/h5-7,12-14,17H,8-11,15-16,25H2,1-4H3/t17-,24-/m1/s1
Definition date:	2007-05-25
Last modified:	2011-06-04
Identifier:	N-[(5R,14R)-5-amino-5,14-dimethyl-4-oxo-3-oxa-18-azatricyclo[15.3.1.1~7,11~]docosa-1(21),7(22),8,10,17,19-hexaen-19-yl]-N-methylmethanesulfonamide

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