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789

789
Name:	3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-1H-INDEN-1-ONE
Formula:	C15 H9 Br O3
SMILES:	BrC=2c1ccc(O)cc1C(=O)C=2c3ccc(O)cc3
InChi:	InChI=1S/C15H9BrO3/c16-14-11-6-5-10(18)7-12(11)15(19)13(14)8-1-3-9(17)4-2-8/h1-7,17-18H
Definition date:	2005-04-13
Last modified:	2011-06-04
Identifier:	3-bromo-6-hydroxy-2-(4-hydroxyphenyl)-1H-inden-1-one

78H

78H
Name:	7,8-DIHYDROPTEROATE
Formula:	C14 H14 N6 O3
SMILES:	O=C(O)c1ccc(cc1)NCC2=NC=3C(=O)NC(=NC=3NC2)N
InChi:	InChI=1S/C14H14N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,16H,5-6H2,(H,22,23)(H4,15,17,19,20,21)
Definition date:	2011-01-17
Last modified:	2011-06-04
Identifier:	4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}benzoic acid

792

792
Name:	N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan
Formula:	C22 H22 N2 O5 S
SMILES:	O=S(=O)(c1ccc(OCC#CC)cc1)NC(C(=O)O)Cc3c2cc(ccc2nc3)C
InChi:	InChI=1S/C22H22N2O5S/c1-3-4-11-29-17-6-8-18(9-7-17)30(27,28)24-21(22(25)26)13-16-14-23-20-10-5-15(2)12-19(16)20/h5-10,12,14,21,23-24H,11,13H2,1-2H3,(H,25,26)/t21-/m1/s1
Definition date:	2009-02-05
Last modified:	2011-06-04
Identifier:	N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan

793

793
Name:	3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione
Formula:	C17 H15 N3 O2
SMILES:	O=C3C(=O)C(Nc1ccncc1)=C3NC(c2ccccc2)C
InChi:	InChI=1S/C17H15N3O2/c1-11(12-5-3-2-4-6-12)19-14-15(17(22)16(14)21)20-13-7-9-18-10-8-13/h2-11,19H,1H3,(H,18,20)/t11-/m1/s1
Definition date:	2009-01-06
Last modified:	2011-06-04
Identifier:	3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione

795

795
Name:	2-(pyridin-3-yl)-1,3-thiazole-4-carbaldehyde
Formula:	C9 H6 N2 O S
SMILES:	O=Cc1nc(sc1)c2cnccc2
InChi:	InChI=1S/C9H6N2OS/c12-5-8-6-13-9(11-8)7-2-1-3-10-4-7/h1-6H
Definition date:	2011-01-28
Last modified:	2011-06-04
Identifier:	2-(pyridin-3-yl)-1,3-thiazole-4-carbaldehyde

797

797
Name:	3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL-6-OL
Formula:	C17 H11 N O3
SMILES:	Oc4ccc3cc(c2noc1cc(O)ccc12)ccc3c4
InChi:	InChI=1S/C17H11NO3/c19-13-4-3-10-7-12(2-1-11(10)8-13)17-15-6-5-14(20)9-16(15)21-18-17/h1-9,19-20H
Definition date:	2004-08-02
Last modified:	2011-06-04
Identifier:	3-(6-hydroxynaphthalen-2-yl)-1,2-benzisoxazol-6-ol

798

798
Name:	{4-[(2R)-pyrrolidin-2-ylmethoxy]phenyl}(4-thiophen-3-ylphenyl)methanone
Formula:	C22 H21 N O2 S
SMILES:	O=C(c2ccc(c1ccsc1)cc2)c4ccc(OCC3NCCC3)cc4
InChi:	InChI=1S/C22H21NO2S/c24-22(17-5-3-16(4-6-17)19-11-13-26-15-19)18-7-9-21(10-8-18)25-14-20-2-1-12-23-20/h3-11,13,15,20,23H,1-2,12,14H2/t20-/m1/s1
Definition date:	2009-01-20
Last modified:	2011-06-04
Identifier:	{4-[(2R)-pyrrolidin-2-ylmethoxy]phenyl}(4-thiophen-3-ylphenyl)methanone

79X

79X
Name:	2-hydroxy-8,9-dimethoxy-6H-isoindolo[2,1-a]indol-6-one
Formula:	C17 H13 N O4
SMILES:	O=C3c4c(c2cc1c(ccc(O)c1)n23)cc(OC)c(OC)c4
InChi:	InChI=1S/C17H13NO4/c1-21-15-7-11-12(8-16(15)22-2)17(20)18-13-4-3-10(19)5-9(13)6-14(11)18/h3-8,19H,1-2H3
Definition date:	2010-09-22
Last modified:	2011-06-04
Identifier:	2-hydroxy-8,9-dimethoxy-6H-isoindolo[2,1-a]indol-6-one

7AC

7AC
Name:	7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-1H-benzimidazole-5-carbonitrile
Formula:	C16 H13 Cl N4
SMILES:	Clc3ccccc3c1c(C#N)cc2ncn(c2c1CN)C
InChi:	InChI=1S/C16H13ClN4/c1-21-9-20-14-6-10(7-18)15(12(8-19)16(14)21)11-4-2-3-5-13(11)17/h2-6,9H,8,19H2,1H3
Definition date:	2008-02-27
Last modified:	2011-06-04
Identifier:	7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-1H-benzimidazole-5-carbonitrile

7AD

7AD
Name:	9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-4-CARBOXAMIDE
Formula:	C19 H22 N4 O
SMILES:	O=C(c2cccc1c(c3c(nc12)cccc3)N)NCCCN(C)C
InChi:	InChI=1S/C19H22N4O/c1-23(2)12-6-11-21-19(24)15-9-5-8-14-17(20)13-7-3-4-10-16(13)22-18(14)15/h3-5,7-10H,6,11-12H2,1-2H3,(H2,20,22)(H,21,24)
Definition date:	2004-01-07
Last modified:	2011-06-04
Identifier:	9-amino-N-[3-(dimethylamino)propyl]acridine-4-carboxamide

7CL

7CL
Name:	1-chloropentane
Formula:	C5 H11 Cl
SMILES:	ClCCCCC
InChi:	InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3
Definition date:	2009-02-16
Last modified:	2011-06-04
Identifier:	1-chloropentane

7CS

7CS
Name:	(3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLATE
Formula:	C16 H19 N3 O2
SMILES:	O=C(OC2CC1N(C)C(CC1)C2)c4c3cccnc3nc4
InChi:	InChI=1S/C16H19N3O2/c1-19-10-4-5-11(19)8-12(7-10)21-16(20)14-9-18-15-13(14)3-2-6-17-15/h2-3,6,9-12H,4-5,7-8H2,1H3,(H,17,18)/t10-,11+,12+
Definition date:	2007-07-11
Last modified:	2011-06-04
Identifier:	(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate

7DA

7DA
Name:	7-DEAZA-2'-DEOXYADENOSINE-5'-MONOPHOSPHATE
Formula:	C11 H15 N4 O6 P
SMILES:	O=P(O)(O)OCC3OC(n2ccc1c(ncnc12)N)CC3O
InChi:	InChI=1S/C11H15N4O6P/c12-10-6-1-2-15(11(6)14-5-13-10)9-3-7(16)8(21-9)4-20-22(17,18)19/h1-2,5,7-9,16H,3-4H2,(H2,12,13,14)(H2,17,18,19)/t7-,8+,9+/m0/s1
Definition date:	2004-08-08
Last modified:	2011-06-04
Identifier:	7-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

7DE

7DE
Name:	3,5-DIMETHYL-1-(3-NITROPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
Formula:	C14 H15 N3 O4
SMILES:	[O-][N+](=O)c1cccc(c1)n2nc(c(c2C)C(=O)OCC)C
InChi:	InChI=1S/C14H15N3O4/c1-4-21-14(18)13-9(2)15-16(10(13)3)11-6-5-7-12(8-11)17(19)20/h5-8H,4H2,1-3H3
Definition date:	2004-11-30
Last modified:	2011-06-04
Identifier:	ethyl 3,5-dimethyl-1-(3-nitrophenyl)-1H-pyrazole-4-carboxylate

7GU

7GU
Name:	7-DEAZA-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE
Formula:	C11 H15 N4 O7 P
SMILES:	O=C1c2c(N=C(N)N1)n(cc2)C3OC(C(O)C3)COP(=O)(O)O
InChi:	InChI=1S/C11H15N4O7P/c12-11-13-9-5(10(17)14-11)1-2-15(9)8-3-6(16)7(22-8)4-21-23(18,19)20/h1-2,6-8,16H,3-4H2,(H2,18,19,20)(H3,12,13,14,17)/t6-,7+,8+/m0/s1
Definition date:	2004-08-08
Last modified:	2011-06-04
Identifier:	2-amino-7-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

7HA

7HA
Name:	N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-(methoxycarbonyl)glycine
Formula:	C22 H21 Cl N2 O6
SMILES:	O=C(OC)N(CC(=O)O)Cc3cc(OCc1nc(oc1C)c2ccc(Cl)cc2)ccc3
InChi:	InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27)
Definition date:	2009-10-28
Last modified:	2011-06-04
Identifier:	N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-(methoxycarbonyl)glycine

7HP

7HP
Name:	7-HYDROXY-PYRAZOLO[4,3-D]PYRIMIDINE
Formula:	C5 H4 N4 O
SMILES:	n1c(O)c2c(nc1)cnn2
InChi:	InChI=1S/C5H4N4O/c10-5-4-3(1-8-9-4)6-2-7-5/h1-2H,(H,8,9)(H,6,7,10)
Definition date:	1999-12-15
Last modified:	2011-06-04
Identifier:	1H-pyrazolo[4,3-d]pyrimidin-7-ol

7I2

7I2
Name:	7-NITROINDAZOLE-2-CARBOXAMIDINE
Formula:	C8 H7 N5 O2
SMILES:	[O-][N+](=O)c2cccc1c2nn(c1)C(=[N@H])N
InChi:	InChI=1S/C8H7N5O2/c9-8(10)12-4-5-2-1-3-6(13(14)15)7(5)11-12/h1-4H,(H3,9,10)
Definition date:	2000-09-05
Last modified:	2011-06-04
Identifier:	7-nitro-2H-indazole-2-carboximidamide

7IN

7IN
Name:	N-(BENZYLSULFONYL)SERYL-N~1~-{4-[(Z)-AMINO(IMINO)METHYL]BENZYL}SERINAMIDE
Formula:	C21 H27 N5 O6 S
SMILES:	O=S(=O)(NC(C(=O)NC(C(=O)NCc1ccc(cc1)C(=[N@H])N)CO)CO)Cc2ccccc2
InChi:	InChI=1S/C21H27N5O6S/c22-19(23)16-8-6-14(7-9-16)10-24-20(29)17(11-27)25-21(30)18(12-28)26-33(31,32)13-15-4-2-1-3-5-15/h1-9,17-18,26-28H,10-13H2,(H3,22,23)(H,24,29)(H,25,30)/t17-,18+/m0/s1
Definition date:	2004-02-11
Last modified:	2011-06-04
Identifier:	N-(benzylsulfonyl)-D-seryl-N-(4-carbamimidoylbenzyl)-L-serinamide

7L4

7L4
Name:	2-PHENYLQUINOLIN-4-OL
Formula:	C15 H11 N O
SMILES:	Oc1cc(nc2ccccc12)c3ccccc3
InChi:	InChI=1S/C15H11NO/c17-15-10-14(11-6-2-1-3-7-11)16-13-9-5-4-8-12(13)15/h1-10H,(H,16,17)
Definition date:	2010-11-16
Last modified:	2011-06-04
Identifier:	2-phenylquinolin-4-ol

7MC

7MC
Name:	5'-O-[(R)-[(N-acetyl-L-alpha-aspartyl)amino](3-aminopropoxy)phosphoryl]adenosine
Formula:	C19 H29 N8 O10 P
SMILES:	O=C(O)CC(NC(=O)C)C(=O)NP(=O)(OCCCN)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C19H29N8O10P/c1-9(28)25-10(5-12(29)30)18(33)26-38(34,35-4-2-3-20)36-6-11-14(31)15(32)19(37-11)27-8-24-13-16(21)22-7-23-17(13)27/h7-8,10-11,14-15,19,31-32H,2-6,20H2,1H3,(H,25,28)(H,29,30)(H2,21,22,23)(H,26,33,34)/t10-,11+,14+,15+,19+,38+/m0/s1
Definition date:	2011-04-18
Last modified:	2011-06-04
Identifier:	5'-O-[(R)-[(N-acetyl-L-alpha-aspartyl)amino](3-aminopropoxy)phosphoryl]adenosine

7MR

7MR
Name:	(2R)-2-AMINO-3,3,3-TRIFLUORO-N-HYDROXY-2-{[(4-PHENOXYPHENYL)SULFONYL]METHYL}PROPANAMIDE
Formula:	C16 H15 F3 N2 O5 S
SMILES:	FC(F)(F)C(C(=O)NO)(N)CS(=O)(=O)c2ccc(Oc1ccccc1)cc2
InChi:	InChI=1S/C16H15F3N2O5S/c17-16(18,19)15(20,14(22)21-23)10-27(24,25)13-8-6-12(7-9-13)26-11-4-2-1-3-5-11/h1-9,23H,10,20H2,(H,21,22)/t15-/m1/s1
Definition date:	2007-02-16
Last modified:	2011-06-04
Identifier:	(2R)-2-amino-3,3,3-trifluoro-N-hydroxy-2-{[(4-phenoxyphenyl)sulfonyl]methyl}propanamide

7NH

7NH
Name:	[2'-HYDROXY-3'-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-UREA
Formula:	C21 H18 N4 O2
SMILES:	O=C(N)NCc1cccc(c1)c4cccc(c3cc2c(ccnc2)n3)c4O
InChi:	InChI=1S/C21H18N4O2/c22-21(27)24-11-13-3-1-4-14(9-13)16-5-2-6-17(20(16)26)19-10-15-12-23-8-7-18(15)25-19/h1-10,12,25-26H,11H2,(H3,22,24,27)
Definition date:	2006-01-17
Last modified:	2011-06-04
Identifier:	1-{[2'-hydroxy-3'-(1H-pyrrolo[3,2-c]pyridin-2-yl)biphenyl-3-yl]methyl}urea

7NI

7NI
Name:	7-NITROINDAZOLE
Formula:	C7 H5 N3 O2
SMILES:	[O-][N+](=O)c1cccc2c1nnc2
InChi:	InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
Definition date:	1999-09-14
Last modified:	2011-06-04
Identifier:	7-nitro-1H-indazole

7PA

7PA
Name:	PROPANE-1,3-DIYLBIS(PHOSPHONIC ACID)
Formula:	C3 H10 O6 P2
SMILES:	O=P(O)(O)CCCP(=O)(O)O
InChi:	InChI=1S/C3H10O6P2/c4-10(5,6)2-1-3-11(7,8)9/h1-3H2,(H2,4,5,6)(H2,7,8,9)
Definition date:	2007-02-08
Last modified:	2011-06-04
Identifier:	propane-1,3-diylbis(phosphonic acid)

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