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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)

7PC

7PC
Name:	2-[4-(AMINOMETHYL)-2-CHLOROPHENOXY]-5-PYRIDIN-2-YLPHENOL
Formula:	C18 H15 Cl N2 O2
SMILES:	Clc3cc(ccc3Oc2c(O)cc(c1ncccc1)cc2)CN
InChi:	InChI=1S/C18H15ClN2O2/c19-14-9-12(11-20)4-6-17(14)23-18-7-5-13(10-16(18)22)15-3-1-2-8-21-15/h1-10,22H,11,20H2
Definition date:	2007-04-25
Last modified:	2011-06-04
Identifier:	2-[4-(aminomethyl)-2-chlorophenoxy]-5-pyridin-2-ylphenol

7RA

7RA
Name:	7-ALPHA-D-RIBOFURANOSYL-2-AMINOPURINE-5'-PHOSPHATE
Formula:	C10 H14 N5 O7 P
SMILES:	O=P(O)(O)OCC3OC(n2cnc1nc(ncc12)N)C(O)C3O
InChi:	InChI=1S/C10H14N5O7P/c11-10-12-1-4-8(14-10)13-3-15(4)9-7(17)6(16)5(22-9)2-21-23(18,19)20/h1,3,5-7,9,16-17H,2H2,(H2,11,12,14)(H2,18,19,20)/t5-,6-,7-,9+/m1/s1
Definition date:	2002-03-19
Last modified:	2011-06-04
Identifier:	7-(5-O-phosphono-alpha-D-ribofuranosyl)-7H-purin-2-amine

7RP

7RP
Name:	7-ALPHA-D-RIBOFURANOSYL-PURINE-5'-PHOSPHATE
Formula:	C10 H13 N4 O7 P
SMILES:	O=P(O)(O)OCC3OC(n2cnc1ncncc12)C(O)C3O
InChi:	InChI=1S/C10H13N4O7P/c15-7-6(2-20-22(17,18)19)21-10(8(7)16)14-4-13-9-5(14)1-11-3-12-9/h1,3-4,6-8,10,15-16H,2H2,(H2,17,18,19)/t6-,7-,8-,10+/m1/s1
Definition date:	2002-03-19
Last modified:	2011-06-04
Identifier:	7-(5-O-phosphono-alpha-D-ribofuranosyl)-7H-purine

7X4

7X4
Name:	3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide
Formula:	C17 H14 Cl N5 O4 S
SMILES:	O=S(=O)(N)c1cccc(c1)Nc2nccc(n2)Nc3c(Cl)ccc4OCOc34
InChi:	InChI=1S/C17H14ClN5O4S/c18-12-4-5-13-16(27-9-26-13)15(12)22-14-6-7-20-17(23-14)21-10-2-1-3-11(8-10)28(19,24)25/h1-8H,9H2,(H2,19,24,25)(H2,20,21,22,23)
Definition date:	2008-06-27
Last modified:	2011-06-04
Identifier:	3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide

7X5

7X5
Name:	N'-(5-chloro-1,3-benzodioxol-4-yl)-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine
Formula:	C18 H15 Cl N4 O4 S
SMILES:	O=S(=O)(c1cccc(c1)Nc2nccc(n2)Nc3c(Cl)ccc4OCOc34)C
InChi:	InChI=1S/C18H15ClN4O4S/c1-28(24,25)12-4-2-3-11(9-12)21-18-20-8-7-15(23-18)22-16-13(19)5-6-14-17(16)27-10-26-14/h2-9H,10H2,1H3,(H2,20,21,22,23)
Definition date:	2008-06-30
Last modified:	2011-06-04
Identifier:	N~4~-(5-chloro-1,3-benzodioxol-4-yl)-N~2~-[3-(methylsulfonyl)phenyl]pyrimidine-2,4-diamine

7X6

7X6
Name:	N-[3-[[4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL]AMINO]PHENYL]METHANESULFONAMIDE
Formula:	C18 H16 Cl N5 O4 S
SMILES:	O=S(=O)(Nc1cccc(c1)Nc2nccc(n2)Nc3c(Cl)ccc4OCOc34)C
InChi:	InChI=1S/C18H16ClN5O4S/c1-29(25,26)24-12-4-2-3-11(9-12)21-18-20-8-7-15(23-18)22-16-13(19)5-6-14-17(16)28-10-27-14/h2-9,24H,10H2,1H3,(H2,20,21,22,23)
Definition date:	2008-06-30
Last modified:	2011-06-04
Identifier:	N-[3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)phenyl]methanesulfonamide

7X7

7X7
Name:	N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-2,4-DIAMINE
Formula:	C21 H20 Cl N5 O3
SMILES:	Clc2ccc1OCOc1c2Nc3nc(ncc3)Nc5cc(N4CCOCC4)ccc5
InChi:	InChI=1S/C21H20ClN5O3/c22-16-4-5-17-20(30-13-29-17)19(16)25-18-6-7-23-21(26-18)24-14-2-1-3-15(12-14)27-8-10-28-11-9-27/h1-7,12H,8-11,13H2,(H2,23,24,25,26)
Definition date:	2008-06-30
Last modified:	2011-06-04
Identifier:	N~4~-(5-chloro-1,3-benzodioxol-4-yl)-N~2~-(3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine

7X8

7X8
Name:	3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE
Formula:	C18 H14 Cl N5 O3
SMILES:	O=C(N)c1cc(ccc1)Nc2nccc(n2)Nc3c(Cl)ccc4OCOc34
InChi:	InChI=1S/C18H14ClN5O3/c19-12-4-5-13-16(27-9-26-13)15(12)23-14-6-7-21-18(24-14)22-11-3-1-2-10(8-11)17(20)25/h1-8H,9H2,(H2,20,25)(H2,21,22,23,24)
Definition date:	2008-06-30
Last modified:	2011-06-04
Identifier:	3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzamide

7XY

7XY
Name:	{(3-CHLOROBENZYL)[(5-{[(3,3-DIPHENYLPROPYL)AMINO]SULFONYL}-2-THIENYL)METHYL]AMINO}(OXO)ACETIC ACID
Formula:	C29 H27 Cl N2 O5 S2
SMILES:	O=S(=O)(c1sc(cc1)CN(C(=O)C(=O)O)Cc2cccc(Cl)c2)NCCC(c3ccccc3)c4ccccc4
InChi:	InChI=1S/C29H27ClN2O5S2/c30-24-13-7-8-21(18-24)19-32(28(33)29(34)35)20-25-14-15-27(38-25)39(36,37)31-17-16-26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-15,18,26,31H,16-17,19-20H2,(H,34,35)
Definition date:	2007-03-26
Last modified:	2011-06-04
Identifier:	[(3-chlorobenzyl)({5-[(3,3-diphenylpropyl)sulfamoyl]thiophen-2-yl}methyl)amino](oxo)acetic acid

6X1

6X1
Name:	2-{[(3,5-dichlorophenyl)carbamoyl]amino}benzoic acid
Formula:	C14 H10 Cl2 N2 O3
SMILES:	OC(=O)c1ccccc1NC(=O)Nc2cc(Cl)cc(Cl)c2
InChi:	InChI=1S/C14H10Cl2N2O3/c15-8-5-9(16)7-10(6-8)17-14(21)18-12-4-2-1-3-11(12)13(19)20/h1-7H,(H,19,20)(H2,17,18,21)
Definition date:	2009-12-03
Last modified:	2011-06-04
Identifier:	2-[(3,5-dichlorophenyl)carbamoylamino]benzoic acid

701

701
Name:	(2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}PROPENE-1-SULFONAMIDE
Formula:	C18 H24 Cl N3 O5 S2
SMILES:	Clc3sc(/C(=C/S(=O)(=O)NC2C(=O)N(C(C(=O)N1CCOCC1)C)CC2)C)cc3
InChi:	InChI=1S/C18H24ClN3O5S2/c1-12(15-3-4-16(19)28-15)11-29(25,26)20-14-5-6-22(18(14)24)13(2)17(23)21-7-9-27-10-8-21/h3-4,11,13-14,20H,5-10H2,1-2H3/b12-11+/t13-,14-/m0/s1
Definition date:	2007-03-27
Last modified:	2011-06-04
Identifier:	(1E)-2-(5-chlorothiophen-2-yl)-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}prop-1-ene-1-sulfonamide

702

702
Name:	(1R)-4-[3-(2-benzylphenoxy)phenyl]-1-phosphonobutane-1-sulfonic acid
Formula:	C23 H25 O7 P S
SMILES:	O[P](O)(=O)[CH](CCCc1cccc(Oc2ccccc2Cc3ccccc3)c1)[S](O)(=O)=O
InChi:	InChI=1S/C23H25O7PS/c24-31(25,26)23(32(27,28)29)15-7-11-19-10-6-13-21(17-19)30-22-14-5-4-12-20(22)16-18-8-2-1-3-9-18/h1-6,8-10,12-14,17,23H,7,11,15-16H2,(H2,24,25,26)(H,27,28,29)/t23-/m1/s1
Definition date:	2010-01-29
Last modified:	2011-06-04
Identifier:	(1R)-4-[3-[2-(phenylmethyl)phenoxy]phenyl]-1-phosphono-butane-1-sulfonic acid

705

705
Name:	N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-propylaminopurin-9-yl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
Formula:	C28 H29 F N6 O6
SMILES:	Fc1ccc(cc1)c2cc(c(O)c(O)c2)C(=O)NC/C=C/C5OC(n4cnc3c(ncnc34)NCCC)C(O)C5O
InChi:	InChI=1S/C28H29FN6O6/c1-2-9-30-25-21-26(33-13-32-25)35(14-34-21)28-24(39)23(38)20(41-28)4-3-10-31-27(40)18-11-16(12-19(36)22(18)37)15-5-7-17(29)8-6-15/h3-8,11-14,20,23-24,28,36-39H,2,9-10H2,1H3,(H,31,40)(H,30,32,33)/b4-3+/t20-,23-,24-,28-/m1/s1
Definition date:	2009-06-22
Last modified:	2011-06-04
Identifier:	N-propyl-9-[(5E)-5,6,7-trideoxy-7-{[(4'-fluoro-4,5-dihydroxybiphenyl-3-yl)carbonyl]amino}-beta-D-ribo-hept-5-enofuranosyl]-9H-purin-6-amine

708

708
Name:	3-[(E)-2-(2-chloro-4-{[3-{[(R)-(2,6-dichlorophenyl)(hydroxy)-lambda~4~-sulfanyl]methyl}-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid
Formula:	C29 H26 Cl3 N O5 S
SMILES:	O=C(O)c1cccc(c1)C=Cc4ccc(OCc2c(onc2CS(O)c3c(Cl)cccc3Cl)C(C)C)cc4Cl
InChi:	InChI=1S/C29H26Cl3NO5S/c1-17(2)27-22(26(33-38-27)16-39(36)28-23(30)7-4-8-24(28)31)15-37-21-12-11-19(25(32)14-21)10-9-18-5-3-6-20(13-18)29(34)35/h3-14,17,36,39H,15-16H2,1-2H3,(H,34,35)/b10-9+
Definition date:	2009-03-17
Last modified:	2011-06-04
Identifier:	3-[(E)-2-(2-chloro-4-{[3-{[(R)-(2,6-dichlorophenyl)(hydroxy)-lambda~4~-sulfanyl]methyl}-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid

70U

70U
Name:	5-(O-METHYLACETO)-2-THIO-2-DEOXY-URIDINE-5'-MONOPHOSPHATE
Formula:	C12 H17 N2 O10 P S
SMILES:	O=C(OC)CC=1C(=O)NC(=S)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:	InChI=1S/C12H17N2O10PS/c1-22-7(15)2-5-3-14(12(26)13-10(5)18)11-9(17)8(16)6(24-11)4-23-25(19,20)21/h3,6,8-9,11,16-17H,2,4H2,1H3,(H,13,18,26)(H2,19,20,21)/t6-,8-,9-,11-/m1/s1
Definition date:	2000-08-08
Last modified:	2011-06-04
Identifier:	5-(2-methoxy-2-oxoethyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one

714

714
Name:	1-(2,2-diphosphonoethyl)-3-(octyloxy)pyridinium
Formula:	C15 H28 N O7 P2
SMILES:	O=P(O)(O)C(P(=O)(O)O)C[n+]1cccc(OCCCCCCCC)c1
InChi:	InChI=1S/C15H27NO7P2/c1-2-3-4-5-6-7-11-23-14-9-8-10-16(12-14)13-15(24(17,18)19)25(20,21)22/h8-10,12,15H,2-7,11,13H2,1H3,(H3-,17,18,19,20,21,22)/p+1
Definition date:	2008-09-11
Last modified:	2011-06-04
Identifier:	1-(2,2-diphosphonoethyl)-3-(octyloxy)pyridinium

717

717
Name:	imidazo[2,1-b][1,3]thiazol-6-ylmethanol
Formula:	C6 H6 N2 O S
SMILES:	n1c(cn2ccsc12)CO
InChi:	InChI=1S/C6H6N2OS/c9-4-5-3-8-1-2-10-6(8)7-5/h1-3,9H,4H2
Definition date:	2009-08-07
Last modified:	2011-06-04
Identifier:	imidazo[2,1-b][1,3]thiazol-6-ylmethanol

719

719
Name:	N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-hydroxyethylamino)purin-9-yl]oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
Formula:	C27 H27 F N6 O7
SMILES:	Fc1ccc(cc1)c2cc(c(O)c(O)c2)C(=O)NC/C=C/C5OC(n4cnc3c(ncnc34)NCCO)C(O)C5O
InChi:	InChI=1S/C27H27FN6O7/c28-16-5-3-14(4-6-16)15-10-17(21(37)18(36)11-15)26(40)30-7-1-2-19-22(38)23(39)27(41-19)34-13-33-20-24(29-8-9-35)31-12-32-25(20)34/h1-6,10-13,19,22-23,27,35-39H,7-9H2,(H,30,40)(H,29,31,32)/b2-1+/t19-,22-,23-,27-/m1/s1
Definition date:	2009-06-22
Last modified:	2011-06-04
Identifier:	N-(2-hydroxyethyl)-9-[(5E)-5,6,7-trideoxy-7-{[(4'-fluoro-4,5-dihydroxybiphenyl-3-yl)carbonyl]amino}-beta-D-ribo-hept-5-enofuranosyl]-9H-purin-6-amine

721

721
Name:	3-butoxy-1-(2,2-diphosphonoethyl)pyridinium
Formula:	C11 H20 N O7 P2
SMILES:	O=P(O)(O)C(P(=O)(O)O)C[n+]1cccc(OCCCC)c1
InChi:	InChI=1S/C11H19NO7P2/c1-2-3-7-19-10-5-4-6-12(8-10)9-11(20(13,14)15)21(16,17)18/h4-6,8,11H,2-3,7,9H2,1H3,(H3-,13,14,15,16,17,18)/p+1
Definition date:	2008-07-30
Last modified:	2011-06-04
Identifier:	3-butoxy-1-(2,2-diphosphonoethyl)pyridinium

722

722
Name:	1-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridinium
Formula:	C14 H26 N O7 P2
SMILES:	O=P(O)(O)C(P(=O)(O)O)C[n+]1cccc(OCCCCCCC)c1
InChi:	InChI=1S/C14H25NO7P2/c1-2-3-4-5-6-10-22-13-8-7-9-15(11-13)12-14(23(16,17)18)24(19,20)21/h7-9,11,14H,2-6,10,12H2,1H3,(H3-,16,17,18,19,20,21)/p+1
Definition date:	2008-09-12
Last modified:	2011-06-04
Identifier:	1-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridinium

723

723
Name:	(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)acetic acid
Formula:	C17 H12 Cl N O3
SMILES:	OC(=O)CC1=C(c2ccccc2)c3cc(Cl)ccc3NC1=O
InChi:	InChI=1S/C17H12ClNO3/c18-11-6-7-14-12(8-11)16(10-4-2-1-3-5-10)13(9-15(20)21)17(22)19-14/h1-8H,9H2,(H,19,22)(H,20,21)
Definition date:	2010-02-19
Last modified:	2011-06-04
Identifier:	2-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)ethanoic acid

730

730
Name:	(S)-3-(3-(4-(2-GUANIDINOETHYL)PIPERIDIN-1-YL)-2-(NAPHTHALENE-2-SULFONAMIDO)-3-OXOPROPYL)BENZIMIDAMIDE
Formula:	C28 H35 N7 O3 S
SMILES:	O=C(N1CCC(CCNC(=[N@H])N)CC1)C(NS(=O)(=O)c3cc2ccccc2cc3)Cc4cc(C(=[N@H])N)ccc4
InChi:	InChI=1S/C28H35N7O3S/c29-26(30)23-7-3-4-20(16-23)17-25(27(36)35-14-11-19(12-15-35)10-13-33-28(31)32)34-39(37,38)24-9-8-21-5-1-2-6-22(21)18-24/h1-9,16,18-19,25,34H,10-15,17H2,(H3,29,30)(H4,31,32,33)/t25-/m0/s1
Definition date:	2006-05-03
Last modified:	2011-06-04
Identifier:	3-{(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-yl]-2-[(naphthalen-2-ylsulfonyl)amino]-3-oxopropyl}benzenecarboximidamide

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