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LGL

LGL
Name:	1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-6-(2'-(PYRROLIDIN-1-YLMETHYL)BIPHENYL-4-YL)-3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7(4H)-ONE
Formula:	C32 H28 F3 N7 O2
SMILES:	FC(F)(F)c1nn(c2cccc(c2)C3=NNC(=O)N3)c4C(=O)N(CCc14)c5ccc(cc5)c6ccccc6CN7CCCC7
InChi:	InChI=1S/C32H28F3N7O2/c33-32(34,35)28-26-14-17-41(23-12-10-20(11-13-23)25-9-2-1-6-22(25)19-40-15-3-4-16-40)30(43)27(26)42(39-28)24-8-5-7-21(18-24)29-36-31(44)38-37-29/h1-2,5-13,18H,3-4,14-17,19H2,(H2,36,37,38,44)
Definition date:	2009-12-17
Last modified:	2011-06-04
Identifier:	1-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

LGM

LGM
Name:	3-METHYL-1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-6-(2'-(PYRROLIDIN-1-YLMETHYL)BIPHENYL-4-YL)-5,6-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7(4H)-ONE
Formula:	C32 H31 N7 O2
SMILES:	Cc1nn(c2cccc(c2)C3=NNC(=O)N3)c4C(=O)N(CCc14)c5ccc(cc5)c6ccccc6CN7CCCC7
InChi:	InChI=1S/C32H31N7O2/c1-21-27-15-18-38(25-13-11-22(12-14-25)28-10-3-2-7-24(28)20-37-16-4-5-17-37)31(40)29(27)39(36-21)26-9-6-8-23(19-26)30-33-32(41)35-34-30/h2-3,6-14,19H,4-5,15-18,20H2,1H3,(H2,33,34,35,41)
Definition date:	2009-12-17
Last modified:	2011-06-04
Identifier:	3-methyl-1-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

LGT

LGT
Name:	L-GLUCARIC ACID
Formula:	C6 H10 O8
SMILES:	O=C(O)C(O)C(O)C(O)C(O)C(=O)O
InChi:	InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m1/s1
Definition date:	2007-05-15
Last modified:	2011-06-04
Identifier:	L-glucaric acid

LGV

LGV
Name:	N-({4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}methyl)-6-fluoropyridine-3-carboxamide
Formula:	C19 H17 F N8 O
SMILES:	Fc1ncc(cc1)C(=O)NCc3nn2c(ccc2)c(n3)Nc4cc(nn4)C5CC5
InChi:	InChI=1S/C19H17FN8O/c20-15-6-5-12(9-21-15)19(29)22-10-17-24-18(14-2-1-7-28(14)27-17)23-16-8-13(25-26-16)11-3-4-11/h1-2,5-9,11H,3-4,10H2,(H,22,29)(H2,23,24,25,26,27)
Definition date:	2010-07-19
Last modified:	2011-06-04
Identifier:	N-({4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}methyl)-6-fluoropyridine-3-carboxamide

870

870
Name:	N-[7-(3-AMINOPHENYL)-5-METHOXY-1,3-BENZOXAZOL-2-YL]-2,5-DICHLOROBENZENESULFONAMIDE
Formula:	C20 H15 Cl2 N3 O4 S
SMILES:	Clc1cc(c(Cl)cc1)S(=O)(=O)Nc2nc3cc(OC)cc(c3o2)c4cccc(N)c4
InChi:	InChI=1S/C20H15Cl2N3O4S/c1-28-14-9-15(11-3-2-4-13(23)7-11)19-17(10-14)24-20(29-19)25-30(26,27)18-8-12(21)5-6-16(18)22/h2-10H,23H2,1H3,(H,24,25)
Definition date:	2006-01-25
Last modified:	2011-06-04
Identifier:	N-[7-(3-aminophenyl)-5-methoxy-1,3-benzoxazol-2-yl]-2,5-dichlorobenzenesulfonamide

872

872
Name:	(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-2-ONE
Formula:	C17 H19 F6 N3 O2
SMILES:	O=C(N1C(C(=O)NCCC1)CC(F)(F)F)CC(N)Cc2cc(F)c(F)cc2F
InChi:	InChI=1S/C17H19F6N3O2/c18-11-7-13(20)12(19)5-9(11)4-10(24)6-15(27)26-3-1-2-25-16(28)14(26)8-17(21,22)23/h5,7,10,14H,1-4,6,8,24H2,(H,25,28)/t10-,14?/m1/s1
Definition date:	2006-10-02
Last modified:	2011-06-04
Identifier:	(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one

877

877
Name:	N-(4-AMINO-5-CYANO-6-ETHOXYPYRIDIN-2-YL)-2-(4-BROMO-2,5-DIMETHOXYPHENYL)ACETAMIDE
Formula:	C18 H19 Br N4 O4
SMILES:	Brc1c(OC)cc(c(OC)c1)CC(=O)Nc2nc(OCC)c(C#N)c(c2)N
InChi:	InChI=1S/C18H19BrN4O4/c1-4-27-18-11(9-20)13(21)8-16(23-18)22-17(24)6-10-5-15(26-3)12(19)7-14(10)25-2/h5,7-8H,4,6H2,1-3H3,(H3,21,22,23,24)
Definition date:	2006-04-18
Last modified:	2011-06-04
Identifier:	N-(4-amino-5-cyano-6-ethoxypyridin-2-yl)-2-(4-bromo-2,5-dimethoxyphenyl)acetamide

879

879
Name:	6-({2-(2-chlorophenyl)-5-[4-(pyrimidin-5-yloxy)phenyl]-1H-pyrrol-1-yl}methyl)pyridin-2-amine
Formula:	C26 H20 Cl N5 O
SMILES:	Nc1cccc(Cn2c(ccc2c3ccccc3Cl)c4ccc(Oc5cncnc5)cc4)n1
InChi:	InChI=1S/C26H20ClN5O/c27-23-6-2-1-5-22(23)25-13-12-24(32(25)16-19-4-3-7-26(28)31-19)18-8-10-20(11-9-18)33-21-14-29-17-30-15-21/h1-15,17H,16H2,(H2,28,31)
Definition date:	2010-01-20
Last modified:	2011-06-04
Identifier:	6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-5-yloxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine

LHY

LHY
Name:	L-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE
Formula:	C10 H12 N2 O4
SMILES:	O=C(O)C(NC(=O)NO)Cc1ccccc1
InChi:	InChI=1S/C10H12N2O4/c13-9(14)8(11-10(15)12-16)6-7-4-2-1-3-5-7/h1-5,8,16H,6H2,(H,13,14)(H2,11,12,15)/t8-/m0/s1
Definition date:	2000-11-22
Last modified:	2011-06-04
Identifier:	N-(hydroxycarbamoyl)-L-phenylalanine

LI3

LI3
Name:	3-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN-4-YLBENZAMIDE
Formula:	C19 H18 F N3 O2
SMILES:	O=C(Nc2cc1ccnc1cc2)c3cc(cc(F)c3)N4CCOCC4
InChi:	InChI=1S/C19H18FN3O2/c20-15-9-14(11-17(12-15)23-5-7-25-8-6-23)19(24)22-16-1-2-18-13(10-16)3-4-21-18/h1-4,9-12,21H,5-8H2,(H,22,24)
Definition date:	2004-11-05
Last modified:	2011-06-04
Identifier:	3-fluoro-N-1H-indol-5-yl-5-morpholin-4-ylbenzamide

LI4

LI4
Name:	3-(1-NAPHTHYLMETHOXY)PYRIDIN-2-AMINE
Formula:	C16 H14 N2 O
SMILES:	O(c1cccnc1N)Cc3c2ccccc2ccc3
InChi:	InChI=1S/C16H14N2O/c17-16-15(9-4-10-18-16)19-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11H2,(H2,17,18)
Definition date:	2004-11-05
Last modified:	2011-06-04
Identifier:	3-(naphthalen-1-ylmethoxy)pyridin-2-amine

LI6

LI6
Name:	3,4-DIHYDROXY-1-METHYLQUINOLIN-2(1H)-ONE
Formula:	C10 H9 N O3
SMILES:	O=C2C(O)=C(O)c1c(cccc1)N2C
InChi:	InChI=1S/C10H9NO3/c1-11-7-5-3-2-4-6(7)8(12)9(13)10(11)14/h2-5,12-13H,1H3
Definition date:	2005-03-07
Last modified:	2011-06-04
Identifier:	3,4-dihydroxy-1-methylquinolin-2(1H)-one

LI7

LI7
Name:	(3E)-3-[(4-HYDROXYPHENYL)IMINO]-1H-INDOL-2(3H)-ONE
Formula:	C14 H10 N2 O2
SMILES:	O=C3C(=N/c1ccc(O)cc1)c2ccccc2N3
InChi:	InChI=1S/C14H10N2O2/c17-10-7-5-9(6-8-10)15-13-11-3-1-2-4-12(11)16-14(13)18/h1-8,17H,(H,15,16,18)
Definition date:	2005-03-07
Last modified:	2011-06-04
Identifier:	(3Z)-3-[(4-hydroxyphenyl)imino]-1,3-dihydro-2H-indol-2-one

LI9

LI9
Name:	4-(4-FLUOROPHENYL)-1-METHYL-5-(2-{[(1S)-1-PHENYLETHYL]AMINO}PYRIMIDIN-4-YL)-2-PIPERIDIN-4-YL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE
Formula:	C27 H29 F N6 O
SMILES:	Fc1ccc(cc1)C2=C(N(N(C2=O)C3CCNCC3)C)c4nc(ncc4)NC(c5ccccc5)C
InChi:	InChI=1S/C27H29FN6O/c1-18(19-6-4-3-5-7-19)31-27-30-17-14-23(32-27)25-24(20-8-10-21(28)11-9-20)26(35)34(33(25)2)22-12-15-29-16-13-22/h3-11,14,17-18,22,29H,12-13,15-16H2,1-2H3,(H,30,31,32)/t18-/m0/s1
Definition date:	2005-03-21
Last modified:	2011-06-04
Identifier:	4-(4-fluorophenyl)-1-methyl-5-(2-{[(1S)-1-phenylethyl]amino}pyrimidin-4-yl)-2-piperidin-4-yl-1,2-dihydro-3H-pyrazol-3-one

LIE

LIE
Name:	2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-9-ISOPROPYL-9H-PURIN-8-AMINE
Formula:	C20 H16 F3 N5 O
SMILES:	Fc4cccc(F)c4Oc1ncc2nc(n(c2n1)C(C)C)Nc3ccccc3F
InChi:	InChI=1S/C20H16F3N5O/c1-11(2)28-18-16(26-19(28)25-15-9-4-3-6-12(15)21)10-24-20(27-18)29-17-13(22)7-5-8-14(17)23/h3-11H,1-2H3,(H,25,26)
Definition date:	2006-05-10
Last modified:	2011-06-04
Identifier:	2-(2,6-difluorophenoxy)-N-(2-fluorophenyl)-9-(1-methylethyl)-9H-purin-8-amine

LIT

LIT
Name:	{[5-(5-NITRO-2-FURYL)-1,3,4-OXADIAZOL-2-YL]THIO}ACETIC ACID
Formula:	C8 H5 N3 O6 S
SMILES:	O=C(O)CSc1nnc(o1)c2oc([N+]([O-])=O)cc2
InChi:	InChI=1S/C8H5N3O6S/c12-6(13)3-18-8-10-9-7(17-8)4-1-2-5(16-4)11(14)15/h1-2H,3H2,(H,12,13)
Definition date:	2006-10-04
Last modified:	2011-06-04
Identifier:	{[5-(5-nitrofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid

LJ5

LJ5
Name:	N-(3,5-dibromo-4-hydroxyphenyl)benzamide
Formula:	C13 H9 Br2 N O2
SMILES:	Brc1cc(cc(Br)c1O)NC(=O)c2ccccc2
InChi:	InChI=1S/C13H9Br2NO2/c14-10-6-9(7-11(15)12(10)17)16-13(18)8-4-2-1-3-5-8/h1-7,17H,(H,16,18)
Definition date:	2008-03-25
Last modified:	2011-06-04
Identifier:	N-(3,5-dibromo-4-hydroxyphenyl)benzamide

891

891
Name:	6-(2,4-difluorophenoxy)-8-methyl-2-{[(1S)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one
Formula:	C18 H18 F2 N4 O4 S
SMILES:	O=S(=O)(C)CC(Nc1ncc3c(n1)N(C(=O)C(Oc2ccc(F)cc2F)=C3)C)C
InChi:	InChI=1S/C18H18F2N4O4S/c1-10(9-29(3,26)27)22-18-21-8-11-6-15(17(25)24(2)16(11)23-18)28-14-5-4-12(19)7-13(14)20/h4-8,10H,9H2,1-3H3,(H,21,22,23)/t10-/m0/s1
Definition date:	2008-12-29
Last modified:	2011-06-04
Identifier:	6-(2,4-difluorophenoxy)-8-methyl-2-{[(1S)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one

892

892
Name:	3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID (4-SULFAMOYL-PHENYL)-AMIDE
Formula:	C23 H18 Br2 N2 O7 S2
SMILES:	O=S(=O)(N)c1ccc(cc1)NS(=O)(=O)c4ccc2c(oc(c2C(=O)c3cc(Br)c(O)c(Br)c3)CC)c4
InChi:	InChI=1S/C23H18Br2N2O7S2/c1-2-19-21(22(28)12-9-17(24)23(29)18(25)10-12)16-8-7-15(11-20(16)34-19)36(32,33)27-13-3-5-14(6-4-13)35(26,30)31/h3-11,27,29H,2H2,1H3,(H2,26,30,31)
Definition date:	2004-04-29
Last modified:	2011-06-04
Identifier:	3-[(3,5-dibromo-4-hydroxyphenyl)carbonyl]-2-ethyl-N-(4-sulfamoylphenyl)-1-benzofuran-6-sulfonamide

894

894
Name:	2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHANESULFONAMIDE
Formula:	C17 H24 Cl N3 O5 S2
SMILES:	Clc1sc(cc1)CCS(=O)(=O)NC3C(=O)N(C(C(=O)N2CCOCC2)C)CC3
InChi:	InChI=1S/C17H24ClN3O5S2/c1-12(16(22)20-7-9-26-10-8-20)21-6-4-14(17(21)23)19-28(24,25)11-5-13-2-3-15(18)27-13/h2-3,12,14,19H,4-11H2,1H3/t12-,14-/m0/s1
Definition date:	2007-02-20
Last modified:	2011-06-04
Identifier:	2-(5-chlorothiophen-2-yl)-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}ethanesulfonamide

895

895
Name:	2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHENESULFONAMIDE
Formula:	C17 H22 Cl N3 O5 S2
SMILES:	Clc3sc(/C=C/S(=O)(=O)NC2C(=O)N(C(C(=O)N1CCOCC1)C)CC2)cc3
InChi:	InChI=1S/C17H22ClN3O5S2/c1-12(16(22)20-7-9-26-10-8-20)21-6-4-14(17(21)23)19-28(24,25)11-5-13-2-3-15(18)27-13/h2-3,5,11-12,14,19H,4,6-10H2,1H3/b11-5+/t12-,14-/m0/s1
Definition date:	2007-03-27
Last modified:	2011-06-04
Identifier:	(E)-2-(5-chlorothiophen-2-yl)-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}ethenesulfonamide

897

897
Name:	N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]-N-ISOPROPYL-3-METHYL-5-{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE
Formula:	C26 H38 N4 O3
SMILES:	O=C(NC(C)(C)C)CCN(C(=O)c2cc(OCC(Nc1ccncc1)C)cc(c2)C)C(C)C
InChi:	InChI=1S/C26H38N4O3/c1-18(2)30(13-10-24(31)29-26(5,6)7)25(32)21-14-19(3)15-23(16-21)33-17-20(4)28-22-8-11-27-12-9-22/h8-9,11-12,14-16,18,20H,10,13,17H2,1-7H3,(H,27,28)(H,29,31)/t20-/m0/s1
Definition date:	2007-03-03
Last modified:	2011-06-04
Identifier:	N-[3-(tert-butylamino)-3-oxopropyl]-3-methyl-N-(1-methylethyl)-5-{[(2S)-2-(pyridin-4-ylamino)propyl]oxy}benzamide

LJE

LJE
Name:	N-{3-methyl-4-[(3-pyrimidin-4-ylpyridin-2-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide
Formula:	C24 H17 F3 N4 O2
SMILES:	FC(F)(F)c1cccc(c1)C(=O)Nc4ccc(Oc2ncccc2c3ncncc3)c(c4)C
InChi:	InChI=1S/C24H17F3N4O2/c1-15-12-18(31-22(32)16-4-2-5-17(13-16)24(25,26)27)7-8-21(15)33-23-19(6-3-10-29-23)20-9-11-28-14-30-20/h2-14H,1H3,(H,31,32)
Definition date:	2010-08-02
Last modified:	2011-06-04
Identifier:	N-(3-methyl-4-{[3-(pyrimidin-4-yl)pyridin-2-yl]oxy}phenyl)-3-(trifluoromethyl)benzamide

LJH

LJH
Name:	N,N'-(iminodiethane-2,1-diyl)bis(4-amino-N-benzylbenzenesulfonamide)
Formula:	C30 H35 N5 O4 S2
SMILES:	O=S(=O)(c1ccc(N)cc1)N(Cc2ccccc2)CCNCCN(Cc3ccccc3)S(=O)(=O)c4ccc(N)cc4
InChi:	InChI=1S/C30H35N5O4S2/c31-27-11-15-29(16-12-27)40(36,37)34(23-25-7-3-1-4-8-25)21-19-33-20-22-35(24-26-9-5-2-6-10-26)41(38,39)30-17-13-28(32)14-18-30/h1-18,33H,19-24,31-32H2
Definition date:	2007-11-29
Last modified:	2011-06-04
Identifier:	N,N'-(iminodiethane-2,1-diyl)bis(4-amino-N-benzylbenzenesulfonamide)

9HX

9HX
Name:	9-DEAZAHYPOXANTHINE
Formula:	C6 H5 N3 O
SMILES:	O=C1c2c(N=CN1)ccn2
InChi:	InChI=1S/C6H5N3O/c10-6-5-4(1-2-7-5)8-3-9-6/h1-3,7H,(H,8,9,10)
Definition date:	2001-03-26
Last modified:	2011-06-04
Identifier:	3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one

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