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576

576
Name:	(3S)-5-(9H-FLUOREN-2-YL)-3-HYDROXYPENTANOIC ACID
Formula:	C18 H18 O3
SMILES:	O=C(O)CC(O)CCc3ccc2c1ccccc1Cc2c3
InChi:	InChI=1S/C18H18O3/c19-15(11-18(20)21)7-5-12-6-8-17-14(9-12)10-13-3-1-2-4-16(13)17/h1-4,6,8-9,15,19H,5,7,10-11H2,(H,20,21)/t15-/m0/s1
Definition date:	2009-07-22
Last modified:	2011-06-04
Identifier:	(3S)-5-(9H-fluoren-2-yl)-3-hydroxypentanoic acid

578

578
Name:	(5R,6S,8S)-8-[3-(AMINOMETHYL)PHENYL]-6-HYDROXY-5-ISOPROPYL-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE
Formula:	C21 H27 N2 O7 P
SMILES:	O=P(O)(OC(c1cccc(c1)CN)C(=O)O)C(NC(=O)OCc2ccccc2)C(C)C
InChi:	InChI=1S/C21H27N2O7P/c1-14(2)19(23-21(26)29-13-15-7-4-3-5-8-15)31(27,28)30-18(20(24)25)17-10-6-9-16(11-17)12-22/h3-11,14,18-19H,12-13,22H2,1-2H3,(H,23,26)(H,24,25)(H,27,28)/t18-,19+/m0/s1
Definition date:	2007-04-20
Last modified:	2011-06-04
Identifier:	(5R,6S,8S)-8-[3-(aminomethyl)phenyl]-6-hydroxy-5-(1-methylethyl)-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide

582

582
Name:	5-ETHYL-3-METHYL-1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]QUINOLIN-4-ONE
Formula:	C13 H13 N3 O
SMILES:	O=C2N(c1c(cccc1)c3c2c(nn3)C)CC
InChi:	InChI=1S/C13H13N3O/c1-3-16-10-7-5-4-6-9(10)12-11(13(16)17)8(2)14-15-12/h4-7H,3H2,1-2H3,(H,14,15)
Definition date:	2007-07-11
Last modified:	2011-06-04
Identifier:	5-ethyl-3-methyl-1,5-dihydro-4H-pyrazolo[4,3-c]quinolin-4-one

58Z

58Z
Name:	1-[2-(1H-indol-5-yloxy)ethyl]piperidine-4-carboxylic acid
Formula:	C16 H20 N2 O3
SMILES:	O=C(O)C3CCN(CCOc2cc1ccnc1cc2)CC3
InChi:	InChI=1S/C16H20N2O3/c19-16(20)12-4-7-18(8-5-12)9-10-21-14-1-2-15-13(11-14)3-6-17-15/h1-3,6,11-12,17H,4-5,7-10H2,(H,19,20)
Definition date:	2009-01-20
Last modified:	2011-06-04
Identifier:	1-[2-(1H-indol-5-yloxy)ethyl]piperidine-4-carboxylic acid

593

593
Name:	(5S)-2-amino-3-methyl-5-phenyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4H-imidazol-4-one
Formula:	C20 H25 N3 O
SMILES:	O=C1N(C(=NC1(c2ccccc2)C53CC4CC(CC(C3)C4)C5)N)C
InChi:	InChI=1S/C20H25N3O/c1-23-17(24)20(22-18(23)21,16-5-3-2-4-6-16)19-10-13-7-14(11-19)9-15(8-13)12-19/h2-6,13-15H,7-12H2,1H3,(H2,21,22)/t13-,14+,15-,19-,20-/m0/s1
Definition date:	2009-08-21
Last modified:	2011-06-04
Identifier:	(5S)-2-amino-3-methyl-5-phenyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4H-imidazol-4-one

595

595
Name:	N-[(1S,5S)-5-{[(4-aminophenyl)sulfonyl](3-methylbutyl)amino}-1-methyl-6-oxohexyl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
Formula:	C35 H46 N4 O6 S
SMILES:	O=S(=O)(N(C(C=O)CCCC(NC(=O)C(NC(=O)OC)C(c1ccccc1)c2ccccc2)C)CCC(C)C)c3ccc(N)cc3
InChi:	InChI=1S/C35H46N4O6S/c1-25(2)22-23-39(46(43,44)31-20-18-29(36)19-21-31)30(24-40)17-11-12-26(3)37-34(41)33(38-35(42)45-4)32(27-13-7-5-8-14-27)28-15-9-6-10-16-28/h5-10,13-16,18-21,24-26,30,32-33H,11-12,17,22-23,36H2,1-4H3,(H,37,41)(H,38,42)/t26-,30-,33-/m0/s1
Definition date:	2010-04-06
Last modified:	2011-06-04
Identifier:	N-[(2S,6S)-6-{[(4-aminophenyl)sulfonyl](3-methylbutyl)amino}-7-oxoheptan-2-yl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide

598

598
Name:	6-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}-3-(CARBOXYMETHOXY)THIENO[3,2-B][1]BENZOTHIOPHENE-2-CARBOXYLIC ACID
Formula:	C25 H24 N2 O7 S3
SMILES:	O=S(=O)(N4CCC(Nc1cc2sc3c(OCC(=O)O)c(sc3c2cc1)C(=O)O)CC4)Cc5ccccc5
InChi:	InChI=1S/C25H24N2O7S3/c28-20(29)13-34-21-23-22(36-24(21)25(30)31)18-7-6-17(12-19(18)35-23)26-16-8-10-27(11-9-16)37(32,33)14-15-4-2-1-3-5-15/h1-7,12,16,26H,8-11,13-14H2,(H,28,29)(H,30,31)
Definition date:	2005-09-30
Last modified:	2011-06-04
Identifier:	6-{[1-(benzylsulfonyl)piperidin-4-yl]amino}-3-(carboxymethoxy)thieno[3,2-b][1]benzothiophene-2-carboxylic acid

599

599
Name:	2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol
Formula:	C29 H30 Cl2 N4 O3
SMILES:	Clc5ccc(C#Cc1c(Cl)ccc(c1)c2nn(c3c2CN(C(=O)CO)CC3)CCCN4CCOCC4)cc5
InChi:	InChI=1S/C29H30Cl2N4O3/c30-24-7-3-21(4-8-24)2-5-22-18-23(6-9-26(22)31)29-25-19-34(28(37)20-36)13-10-27(25)35(32-29)12-1-11-33-14-16-38-17-15-33/h3-4,6-9,18,36H,1,10-17,19-20H2
Definition date:	2009-07-23
Last modified:	2011-06-04
Identifier:	1-(3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-2-hydroxyethanone

59R

59R
Name:	6-{[(3R,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine
Formula:	C20 H27 F N4 O
SMILES:	Fc1cccc(c1)CCNCCOC2C(CNC2)Cc3nc(N)ccc3
InChi:	InChI=1S/C20H27FN4O/c21-17-4-1-3-15(11-17)7-8-23-9-10-26-19-14-24-13-16(19)12-18-5-2-6-20(22)25-18/h1-6,11,16,19,23-24H,7-10,12-14H2,(H2,22,25)/t16-,19+/m1/s1
Definition date:	2010-06-30
Last modified:	2011-06-04
Identifier:	6-{[(3R,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine

59W

59W
Name:	6-{[(3S,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine
Formula:	C20 H27 F N4 O
SMILES:	Fc1cccc(c1)CCNCCOC2C(CNC2)Cc3nc(N)ccc3
InChi:	InChI=1S/C20H27FN4O/c21-17-4-1-3-15(11-17)7-8-23-9-10-26-19-14-24-13-16(19)12-18-5-2-6-20(22)25-18/h1-6,11,16,19,23-24H,7-10,12-14H2,(H2,22,25)/t16-,19+/m0/s1
Definition date:	2010-07-01
Last modified:	2011-06-04
Identifier:	6-{[(3S,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine

5AD

5AD
Name:	5'-DEOXYADENOSINE
Formula:	C10 H13 N5 O3
SMILES:	n2c1c(ncnc1n(c2)C3OC(C(O)C3O)C)N
InChi:	InChI=1S/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	5'-deoxyadenosine

5AM

5AM
Name:	BENZYL {(1S)-5-AMINO-1-[(S)-HYDROXY(5-{[4-(4-PHENYLBUTANOYL)PIPERAZIN-1-YL]METHYL}-1,2,4-OXADIAZOL-3-YL)METHYL]PENTYL}CARBAMATE
Formula:	C31 H42 N6 O5
SMILES:	O=C(N3CCN(Cc1nc(no1)C(O)C(NC(=O)OCc2ccccc2)CCCCN)CC3)CCCc4ccccc4
InChi:	InChI=1S/C31H42N6O5/c32-17-8-7-15-26(33-31(40)41-23-25-12-5-2-6-13-25)29(39)30-34-27(42-35-30)22-36-18-20-37(21-19-36)28(38)16-9-14-24-10-3-1-4-11-24/h1-6,10-13,26,29,39H,7-9,14-23,32H2,(H,33,40)/t26-,29-/m0/s1
Definition date:	2006-03-30
Last modified:	2011-06-04
Identifier:	benzyl {(1S)-5-amino-1-[(S)-hydroxy(5-{[4-(4-phenylbutanoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-3-yl)methyl]pentyl}carbamate

5AN

5AN
Name:	3,5-DIFLUOROANILINE
Formula:	C6 H5 F2 N
SMILES:	Fc1cc(N)cc(F)c1
InChi:	InChI=1S/C6H5F2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
Definition date:	2002-04-18
Last modified:	2011-06-04
Identifier:	3,5-difluoroaniline

5AS

5AS
Name:	5'-O-(N-ETHYL-SULFAMOYL)ADENOSINE
Formula:	C12 H18 N6 O6 S
SMILES:	O=S(=O)(OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)NCC
InChi:	InChI=1S/C12H18N6O6S/c1-2-17-25(21,22)23-3-6-8(19)9(20)12(24-6)18-5-16-7-10(13)14-4-15-11(7)18/h4-6,8-9,12,17,19-20H,2-3H2,1H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1
Definition date:	2004-01-16
Last modified:	2011-06-04
Identifier:	5'-O-(ethylsulfamoyl)adenosine

5AT

5AT
Name:	5'-AMINO-5'-DEOXYTHYMIDINE
Formula:	C10 H15 N3 O4
SMILES:	O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)CN
InChi:	InChI=1S/C10H15N3O4/c1-5-4-13(10(16)12-9(5)15)8-2-6(14)7(3-11)17-8/h4,6-8,14H,2-3,11H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1
Definition date:	1999-08-12
Last modified:	2011-06-04
Identifier:	5'-amino-5'-deoxythymidine

5B1

5B1
Name:	5-bromo-1H-indazol-3-amine
Formula:	C7 H6 Br N3
SMILES:	Brc1cc2c(cc1)nnc2N
InChi:	InChI=1S/C7H6BrN3/c8-4-1-2-6-5(3-4)7(9)11-10-6/h1-3H,(H3,9,10,11)
Definition date:	2008-08-19
Last modified:	2011-06-04
Identifier:	5-bromo-1H-indazol-3-amine

5B2

5B2
Name:	5-phenyl-1H-indazol-3-amine
Formula:	C13 H11 N3
SMILES:	n2c(c1cc(ccc1n2)c3ccccc3)N
InChi:	InChI=1S/C13H11N3/c14-13-11-8-10(6-7-12(11)15-16-13)9-4-2-1-3-5-9/h1-8H,(H3,14,15,16)
Definition date:	2008-08-19
Last modified:	2011-06-04
Identifier:	5-phenyl-1H-indazol-3-amine

5B3

5B3
Name:	4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide
Formula:	C17 H20 N4 O2 S
SMILES:	O=S(=O)(NC(C)(C)C)c3ccc(c1cc2c(cc1)nnc2N)cc3
InChi:	InChI=1S/C17H20N4O2S/c1-17(2,3)21-24(22,23)13-7-4-11(5-8-13)12-6-9-15-14(10-12)16(18)20-19-15/h4-10,21H,1-3H3,(H3,18,19,20)
Definition date:	2008-08-19
Last modified:	2011-06-04
Identifier:	4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide

5BD

5BD
Name:	N,N'-(9,10-dioxo-9,10-dihydroanthracene-2,7-diyl)bis[2-(dimethylamino)acetamide]
Formula:	C22 H24 N4 O4
SMILES:	O=C(Nc3ccc2C(=O)c1c(cc(cc1)NC(=O)CN(C)C)C(=O)c2c3)CN(C)C
InChi:	InChI=1S/C22H24N4O4/c1-25(2)11-19(27)23-13-5-7-15-17(9-13)22(30)18-10-14(6-8-16(18)21(15)29)24-20(28)12-26(3)4/h5-10H,11-12H2,1-4H3,(H,23,27)(H,24,28)
Definition date:	2009-03-24
Last modified:	2011-06-04
Identifier:	N,N'-(9,10-dioxo-9,10-dihydroanthracene-2,7-diyl)bis[2-(dimethylamino)acetamide]

5BE

5BE
Name:	3-methyl-5-[5-(1-methylethyl)-1H-benzimidazol-2-yl]-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
Formula:	C21 H28 N6 O
SMILES:	O=C(c3c(c2nc1cc(ccc1n2)C(C)C)nnc3C)NC4CCN(C)CC4
InChi:	InChI=1S/C21H28N6O/c1-12(2)14-5-6-16-17(11-14)24-20(23-16)19-18(13(3)25-26-19)21(28)22-15-7-9-27(4)10-8-15/h5-6,11-12,15H,7-10H2,1-4H3,(H,22,28)(H,23,24)(H,25,26)
Definition date:	2010-06-23
Last modified:	2011-06-04
Identifier:	3-methyl-N-(1-methylpiperidin-4-yl)-5-[5-(propan-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazole-4-carboxamide

5BM

5BM
Name:	(2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile
Formula:	C18 H16 N6 S2
SMILES:	N#CC(=C(/Sc1ccccc1N)N)C(/C#N)=C(/Sc2ccccc2N)N
InChi:	InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8H,21-24H2/b17-11+,18-12+
Definition date:	2008-10-13
Last modified:	2011-06-04
Identifier:	(2Z,3Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile

5BN

5BN
Name:	5-[(2-AMINOETHYL)AMINO]-6-FLUORO-3-(1H-PYRROL-2-YL)BENZO[CD]INDOL-2(1H)-ONE
Formula:	C17 H15 F N4 O
SMILES:	Fc1ccc2c3c1c(cc(c3C(=O)N2)c4cccn4)NCCN
InChi:	InChI=1S/C17H15FN4O/c18-10-3-4-12-16-14(17(23)22-12)9(11-2-1-6-20-11)8-13(15(10)16)21-7-5-19/h1-4,6,8,20-21H,5,7,19H2,(H,22,23)
Definition date:	2003-04-21
Last modified:	2011-06-04
Identifier:	5-[(2-aminoethyl)amino]-6-fluoro-3-(1H-pyrrol-2-yl)benzo[cd]indol-2(1H)-one

5BP

5BP
Name:	N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
Formula:	C13 H12 N6
SMILES:	n1cc(c2cccnn12)c3nc(ncc3)NC4CC4
InChi:	InChI=1S/C13H12N6/c1-2-12-10(8-16-19(12)15-6-1)11-5-7-14-13(18-11)17-9-3-4-9/h1-2,5-9H,3-4H2,(H,14,17,18)
Definition date:	2008-09-22
Last modified:	2011-06-04
Identifier:	N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine

5BU

5BU
Name:	5-BROMO-URIDINE-5'-MONOPHOSPHATE
Formula:	C9 H12 Br N2 O9 P
SMILES:	BrC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:	InChI=1S/C9H12BrN2O9P/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-14H,2H2,(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1
Definition date:	2003-11-05
Last modified:	2011-06-04
Identifier:	5-bromouridine 5'-(dihydrogen phosphate)

5CA

5CA
Name:	5'-O-(N-(L-CYSTEINYL)-SULFAMOYL)ADENOSINE
Formula:	C13 H19 N7 O7 S2
SMILES:	O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)CS
InChi:	InChI=1S/C13H19N7O7S2/c14-5(2-28)12(23)19-29(24,25)26-1-6-8(21)9(22)13(27-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-22,28H,1-2,14H2,(H,19,23)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1
Definition date:	2003-01-07
Last modified:	2011-06-04
Identifier:	5'-O-(L-cysteinylsulfamoyl)adenosine

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