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23N

23N
Name:	(2R)-2-benzyl-3-nitropropanoic acid
Formula:	C10 H11 N O4
SMILES:	[O-][N+](=O)CC(C(=O)O)Cc1ccccc1
InChi:	InChI=1S/C10H11NO4/c12-10(13)9(7-11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)/t9-/m1/s1
Definition date:	2007-10-03
Last modified:	2011-06-04
Identifier:	(2R)-2-benzyl-3-nitropropanoic acid

23R

23R
Name:	(1S,2S,3R,5Z,7E,14beta,17alpha,23R)-23-(2-hydroxy-2-methylpropyl)-2-methyl-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol
Formula:	C29 H46 O4
SMILES:	OC(CC1CC(OC1)(C)C4CCC3C(=CC=C2/C(=C)C(O)C(C)C(O)C2)CCCC34C)(C)C
InChi:	InChI=1S/C29H46O4/c1-18-22(14-24(30)19(2)26(18)31)10-9-21-8-7-13-28(5)23(21)11-12-25(28)29(6)16-20(17-33-29)15-27(3,4)32/h9-10,19-20,23-26,30-32H,1,7-8,11-17H2,2-6H3/b21-9+,22-10-/t19-,20+,23-,24+,25-,26+,28-,29-/m0/s1
Definition date:	2009-06-25
Last modified:	2011-06-04
Identifier:	(1S,2S,3R,5Z,7E,14beta,17alpha,23R)-23-(2-hydroxy-2-methylpropyl)-2-methyl-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol

23U

23U
Name:	beta-phenyl-D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide
Formula:	C27 H28 Cl N3 O2
SMILES:	O=C(NCc1cccc(Cl)c1)C4N(C(=O)C(N)C(c2ccccc2)c3ccccc3)CCC4
InChi:	InChI=1S/C27H28ClN3O2/c28-22-14-7-9-19(17-22)18-30-26(32)23-15-8-16-31(23)27(33)25(29)24(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-7,9-14,17,23-25H,8,15-16,18,29H2,(H,30,32)/t23-,25+/m0/s1
Definition date:	2008-06-19
Last modified:	2011-06-04
Identifier:	beta-phenyl-D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide

244

244
Name:	[5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE
Formula:	C16 H11 N O3
SMILES:	N#CCc3cc(O)cc1c3oc(c1)c2ccc(O)cc2
InChi:	InChI=1S/C16H11NO3/c17-6-5-11-7-14(19)8-12-9-15(20-16(11)12)10-1-3-13(18)4-2-10/h1-4,7-9,18-19H,5H2
Definition date:	2004-08-18
Last modified:	2011-06-04
Identifier:	[5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-yl]acetonitrile

245

245
Name:	1-(2-chloropyridin-4-yl)-3-phenylurea
Formula:	C12 H10 Cl N3 O
SMILES:	Clc2nccc(NC(=O)Nc1ccccc1)c2
InChi:	InChI=1S/C12H10ClN3O/c13-11-8-10(6-7-14-11)16-12(17)15-9-4-2-1-3-5-9/h1-8H,(H2,14,15,16,17)
Definition date:	2007-08-06
Last modified:	2011-06-04
Identifier:	1-(2-chloropyridin-4-yl)-3-phenylurea

246

246
Name:	1-benzyl-3-(2-chloropyridin-4-yl)urea
Formula:	C13 H12 Cl N3 O
SMILES:	Clc2nccc(NC(=O)NCc1ccccc1)c2
InChi:	InChI=1S/C13H12ClN3O/c14-12-8-11(6-7-15-12)17-13(18)16-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,15,16,17,18)
Definition date:	2007-08-06
Last modified:	2011-06-04
Identifier:	1-benzyl-3-(2-chloropyridin-4-yl)urea

24I

24I
Name:	(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACID
Formula:	C13 H16 I O6 P
SMILES:	Ic1ccc(cc1)CP(=O)(O)CC(C(=O)O)CCC(=O)O
InChi:	InChI=1S/C13H16IO6P/c14-11-4-1-9(2-5-11)7-21(19,20)8-10(13(17)18)3-6-12(15)16/h1-2,4-5,10H,3,6-8H2,(H,15,16)(H,17,18)(H,19,20)/t10-/m1/s1
Definition date:	2005-11-09
Last modified:	2011-06-04
Identifier:	(2S)-2-{[(R)-hydroxy(4-iodobenzyl)phosphoryl]methyl}pentanedioic acid

24P

24P
Name:	(2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine
Formula:	C18 H21 N O
SMILES:	O(c1ccc(cc1)Cc2ccccc2)CC3NCCC3
InChi:	InChI=1S/C18H21NO/c1-2-5-15(6-3-1)13-16-8-10-18(11-9-16)20-14-17-7-4-12-19-17/h1-3,5-6,8-11,17,19H,4,7,12-14H2/t17-/m1/s1
Definition date:	2008-12-11
Last modified:	2011-06-04
Identifier:	(2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine

251

251
Name:	N-[amino(imino)methyl]-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide
Formula:	C19 H18 N4 O
SMILES:	O=C(NC(=[N@H])N)Cn2c(ccc2c1ccccc1)c3ccccc3
InChi:	InChI=1S/C19H18N4O/c20-19(21)22-18(24)13-23-16(14-7-3-1-4-8-14)11-12-17(23)15-9-5-2-6-10-15/h1-12H,13H2,(H4,20,21,22,24)
Definition date:	2007-09-11
Last modified:	2011-06-04
Identifier:	N-carbamimidoyl-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide

258

258
Name:	(2-chloroethoxy)benzene
Formula:	C8 H9 Cl O
SMILES:	2-chloroethyl phenyl ether
InChi:	InChI=1S/C8H9ClO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2
Definition date:	2007-10-01
Last modified:	2011-06-04
Identifier:	(2-chloroethoxy)benzene

902

902
Name:	{[5-(3-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}PHENYL)-4-BROMO-2-(2H-TETRAZOL-5-YL)-3-THIENYL]OXY}ACETIC ACID
Formula:	C25 H25 Br N6 O5 S2
SMILES:	O=S(=O)(N4CCC(Nc1cccc(c1)c2sc(c(OCC(=O)O)c2Br)c3nnnn3)CC4)Cc5ccccc5
InChi:	InChI=1S/C25H25BrN6O5S2/c26-21-22(37-14-20(33)34)24(25-28-30-31-29-25)38-23(21)17-7-4-8-19(13-17)27-18-9-11-32(12-10-18)39(35,36)15-16-5-2-1-3-6-16/h1-8,13,18,27H,9-12,14-15H2,(H,33,34)(H,28,29,30,31)
Definition date:	2006-11-09
Last modified:	2011-06-04
Identifier:	{[5-(3-{[1-(benzylsulfonyl)piperidin-4-yl]amino}phenyl)-4-bromo-2-(2H-tetrazol-5-yl)thiophen-3-yl]oxy}acetic acid

910

910
Name:	5-[3-(BENZYLAMINO)PHENYL]-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID
Formula:	C20 H16 Br N O5 S
SMILES:	O=C(O)c3sc(c1cc(ccc1)NCc2ccccc2)c(Br)c3OCC(=O)O
InChi:	InChI=1S/C20H16BrNO5S/c21-16-17(27-11-15(23)24)19(20(25)26)28-18(16)13-7-4-8-14(9-13)22-10-12-5-2-1-3-6-12/h1-9,22H,10-11H2,(H,23,24)(H,25,26)
Definition date:	2006-06-20
Last modified:	2011-06-04
Identifier:	5-[3-(benzylamino)phenyl]-4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid

91U

91U
Name:	N-acetyl-3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide
Formula:	C23 H32 Cl N3 O3
SMILES:	O=C(NCc1cccc(Cl)c1)C3N(C(=O)C(NC(=O)C)CC2CCCCC2)CCC3
InChi:	InChI=1S/C23H32ClN3O3/c1-16(28)26-20(14-17-7-3-2-4-8-17)23(30)27-12-6-11-21(27)22(29)25-15-18-9-5-10-19(24)13-18/h5,9-10,13,17,20-21H,2-4,6-8,11-12,14-15H2,1H3,(H,25,29)(H,26,28)/t20-,21+/m1/s1
Definition date:	2008-11-06
Last modified:	2011-06-04
Identifier:	N-acetyl-3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide

922

922
Name:	(5R,6S,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-6-HYDROXY-5-ISOPROPYL-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE
Formula:	C21 H27 N4 O7 P
SMILES:	O=C(OCc1ccccc1)NC(C(C)C)P(=O)(O)OC(c2cc(NC(=[N@H])N)ccc2)C(=O)O
InChi:	InChI=1S/C21H27N4O7P/c1-13(2)18(25-21(28)31-12-14-7-4-3-5-8-14)33(29,30)32-17(19(26)27)15-9-6-10-16(11-15)24-20(22)23/h3-11,13,17-18H,12H2,1-2H3,(H,25,28)(H,26,27)(H,29,30)(H4,22,23,24)/t17-,18+/m0/s1
Definition date:	2007-04-20
Last modified:	2011-06-04
Identifier:	(5R,6S,8S)-8-(3-carbamimidamidophenyl)-6-hydroxy-5-(1-methylethyl)-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide

928

928
Name:	5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile
Formula:	C10 H7 Cl N4
SMILES:	Clc2ccc(n1ncc(C#N)c1N)cc2
InChi:	InChI=1S/C10H7ClN4/c11-8-1-3-9(4-2-8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2
Definition date:	2008-09-18
Last modified:	2011-06-04
Identifier:	5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile

92G

92G
Name:	4-(2-amino-1,3-thiazol-4-yl)phenol
Formula:	C9 H8 N2 O S
SMILES:	n2c(c1ccc(O)cc1)csc2N
InChi:	InChI=1S/C9H8N2OS/c10-9-11-8(5-13-9)6-1-3-7(12)4-2-6/h1-5,12H,(H2,10,11)
Definition date:	2009-01-20
Last modified:	2011-06-04
Identifier:	4-(2-amino-1,3-thiazol-4-yl)phenol

930

930
Name:	6-CHLORO-N-((3S)-2-OXO-1-{4-[(2S)-2-PYRROLIDINYL]PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE
Formula:	C24 H23 Cl F N3 O3 S
SMILES:	Fc1cc(ccc1N2CC[CH](N[S](=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)[CH]5CCCN5
InChi:	InChI=1S/C24H23ClFN3O3S/c25-18-6-3-16-13-19(7-4-15(16)12-18)33(31,32)28-22-9-11-29(24(22)30)23-8-5-17(14-20(23)26)21-2-1-10-27-21/h3-8,12-14,21-22,27-28H,1-2,9-11H2/t21-,22-/m0/s1
Definition date:	2011-02-02
Last modified:	2011-06-04
Identifier:	6-chloro-N-[(3S)-1-[2-fluoro-4-[(2S)-pyrrolidin-2-yl]phenyl]-2-oxo-pyrrolidin-3-yl]naphthalene-2-sulfonamide

931

931
Name:	6-CHLORO-N-((3S)-2-OXO-1-{4-[(2R)-2--PYRROLIDINYL] PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE
Formula:	C24 H23 Cl F N3 O3 S
SMILES:	Fc1cc(ccc1N2CC[CH](N[S](=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)[CH]5CCCN5
InChi:	InChI=1S/C24H23ClFN3O3S/c25-18-6-3-16-13-19(7-4-15(16)12-18)33(31,32)28-22-9-11-29(24(22)30)23-8-5-17(14-20(23)26)21-2-1-10-27-21/h3-8,12-14,21-22,27-28H,1-2,9-11H2/t21-,22+/m1/s1
Definition date:	2011-02-02
Last modified:	2011-06-04
Identifier:	6-chloro-N-[(3S)-1-[2-fluoro-4-[(2R)-pyrrolidin-2-yl]phenyl]-2-oxo-pyrrolidin-3-yl]naphthalene-2-sulfonamide

951

951
Name:	2-[(2E)-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}hydrazino]benzoic acid
Formula:	C18 H13 Cl N2 O3
SMILES:	OC(=O)c1ccccc1NN=Cc2oc(cc2)c3ccccc3Cl
InChi:	InChI=1S/C18H13ClN2O3/c19-15-7-3-1-5-13(15)17-10-9-12(24-17)11-20-21-16-8-4-2-6-14(16)18(22)23/h1-11,21H,(H,22,23)/b20-11+
Definition date:	2009-12-03
Last modified:	2011-06-04
Identifier:	2-[(2E)-2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]benzoic acid

957

957
Name:	N-[(1S,2R)-1-(3,5-difluorobenzyl)-3-({1-[4-(2,2-dimethylpropyl)thiophen-2-yl]cyclopropyl}amino)-2-hydroxypropyl]acetamide
Formula:	C24 H32 F2 N2 O2 S
SMILES:	Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)CNC3(c2scc(c2)CC(C)(C)C)CC3
InChi:	InChI=1S/C24H32F2N2O2S/c1-15(29)28-20(9-16-7-18(25)11-19(26)8-16)21(30)13-27-24(5-6-24)22-10-17(14-31-22)12-23(2,3)4/h7-8,10-11,14,20-21,27,30H,5-6,9,12-13H2,1-4H3,(H,28,29)/t20-,21+/m0/s1
Definition date:	2010-07-16
Last modified:	2011-06-04
Identifier:	N-[(2S,3R)-1-(3,5-difluorophenyl)-4-({1-[4-(2,2-dimethylpropyl)thiophen-2-yl]cyclopropyl}amino)-3-hydroxybutan-2-yl]acetamide

965

965
Name:	[3-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)phenyl]acetic acid
Formula:	C33 H31 Cl F3 N O3
SMILES:	Clc1c(cccc1CN(CCCOc2cc(ccc2)CC(=O)O)CC(c3ccccc3)c4ccccc4)C(F)(F)F
InChi:	InChI=1S/C33H31ClF3NO3/c34-32-27(15-8-17-30(32)33(35,36)37)22-38(18-9-19-41-28-16-7-10-24(20-28)21-31(39)40)23-29(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,10-17,20,29H,9,18-19,21-23H2,(H,39,40)
Definition date:	2003-06-19
Last modified:	2011-06-04
Identifier:	[3-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)phenyl]acetic acid

973

973
Name:	(5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)-ONE
Formula:	C21 H13 Cl O3
SMILES:	O=C2O/C(C(O)=C2c1ccc(Cl)cc1)=Cc4c3ccccc3ccc4
InChi:	InChI=1S/C21H13ClO3/c22-16-10-8-14(9-11-16)19-20(23)18(25-21(19)24)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-12,23H/b18-12-
Definition date:	2007-06-11
Last modified:	2011-06-04
Identifier:	(5Z)-3-(4-chlorophenyl)-4-hydroxy-5-(naphthalen-1-ylmethylidene)furan-2(5H)-one

977

977
Name:	2-AMINO-5-BROMO-6-PHENYLPYRIMIDIN-4-OL
Formula:	C10 H8 Br N3 O
SMILES:	Brc2c(O)nc(nc2c1ccccc1)N
InChi:	InChI=1S/C10H8BrN3O/c11-7-8(6-4-2-1-3-5-6)13-10(12)14-9(7)15/h1-5H,(H3,12,13,14,15)
Definition date:	2004-03-05
Last modified:	2011-06-04
Identifier:	2-amino-5-bromo-6-phenylpyrimidin-4-ol

97B

97B
Name:	9-chloro-7-(2,6-difluorophenyl)-N-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-5H-pyrimido[5,4-d][2]benzazepin-2-amine
Formula:	C30 H25 Cl F2 N6 O
SMILES:	O=C(N1CCN(C)CC1)c6ccc(Nc4nc3c2ccc(Cl)cc2C(=NCc3cn4)c5c(F)cccc5F)cc6
InChi:	InChI=1S/C30H25ClF2N6O/c1-38-11-13-39(14-12-38)29(40)18-5-8-21(9-6-18)36-30-35-17-19-16-34-28(26-24(32)3-2-4-25(26)33)23-15-20(31)7-10-22(23)27(19)37-30/h2-10,15,17H,11-14,16H2,1H3,(H,35,36,37)
Definition date:	2009-04-15
Last modified:	2011-06-04
Identifier:	9-chloro-7-(2,6-difluorophenyl)-N-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-5H-pyrimido[5,4-d][2]benzazepin-2-amine

982

982
Name:	3-(CARBOXYMETHOXY)THIENO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID
Formula:	C10 H7 N O5 S
SMILES:	O=C(O)COc1c2cccnc2sc1C(=O)O
InChi:	InChI=1S/C10H7NO5S/c12-6(13)4-16-7-5-2-1-3-11-9(5)17-8(7)10(14)15/h1-3H,4H2,(H,12,13)(H,14,15)
Definition date:	2005-09-30
Last modified:	2011-06-04
Identifier:	3-(carboxymethoxy)thieno[2,3-b]pyridine-2-carboxylic acid

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