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DN6

DN6
Name:	N-[3-(1H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
Formula:	C15 H10 F3 N5 O
SMILES:	FC(F)(F)c1cccc(c1)C(=O)Nc2cccc(c2)c3nnnn3
InChi:	InChI=1S/C15H10F3N5O/c16-15(17,18)11-5-1-4-10(7-11)14(24)19-12-6-2-3-9(8-12)13-20-22-23-21-13/h1-8H,(H,19,24)(H,20,21,22,23)
Definition date:	2012-01-20
Last modified:	2012-03-23
Identifier:	N-[3-(1H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide

DN8

DN8
Name:	3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide
Formula:	C14 H10 Br N5 O
SMILES:	Brc1cccc(c1)C(=O)Nc2cccc(c2)c3nnnn3
InChi:	InChI=1S/C14H10BrN5O/c15-11-5-1-4-10(7-11)14(21)16-12-6-2-3-9(8-12)13-17-19-20-18-13/h1-8H,(H,16,21)(H,17,18,19,20)
Definition date:	2012-01-20
Last modified:	2012-03-23
Identifier:	3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide

0FK

0FK
Name:	8-hydroxyquinoline-2-carboxamide
Formula:	C10 H8 N2 O2
SMILES:	O=C(c1nc2c(O)cccc2cc1)N
InChi:	InChI=1S/C10H8N2O2/c11-10(14)7-5-4-6-2-1-3-8(13)9(6)12-7/h1-5,13H,(H2,11,14)
Definition date:	2012-01-04
Last modified:	2012-03-16
Identifier:	8-hydroxyquinoline-2-carboxamide

0FN

0FN
Name:	1,3-dioxo-2,3-dihydro-1H-indene-2-carbonitrile
Formula:	C10 H5 N O2
SMILES:	O=C2c1ccccc1C(=O)C2C#N
InChi:	InChI=1S/C10H5NO2/c11-5-8-9(12)6-3-1-2-4-7(6)10(8)13/h1-4,8H
Definition date:	2012-01-04
Last modified:	2012-03-16
Identifier:	1,3-dioxo-2,3-dihydro-1H-indene-2-carbonitrile

0FO

0FO
Name:	6-bromo-4-hydroxy-2H-chromen-2-one
Formula:	C9 H5 Br O3
SMILES:	Brc2ccc1OC(=O)C=C(O)c1c2
InChi:	InChI=1S/C9H5BrO3/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4,11H
Definition date:	2012-01-04
Last modified:	2012-03-16
Identifier:	6-bromo-4-hydroxy-2H-chromen-2-one

0FR

0FR
Name:	furan-2-yl(1H-indol-3-yl)methanone
Formula:	C13 H9 N O2
SMILES:	O=C(c1cnc2ccccc12)c3occc3
InChi:	InChI=1S/C13H9NO2/c15-13(12-6-3-7-16-12)10-8-14-11-5-2-1-4-9(10)11/h1-8,14H
Definition date:	2012-01-04
Last modified:	2012-03-16
Identifier:	furan-2-yl(1H-indol-3-yl)methanone

0FS

0FS
Name:	(5Z)-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione
Formula:	C11 H6 F3 N O2 S
SMILES:	O=C1C(SC(=O)N1)=Cc2cccc(c2)C(F)(F)F
InChi:	InChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-1-2-6(4-7)5-8-9(16)15-10(17)18-8/h1-5H,(H,15,16,17)/b8-5-
Definition date:	2012-01-04
Last modified:	2012-03-16
Identifier:	(5Z)-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione

0HM

0HM
Name:	2-{[4-(aminomethyl)phenyl]carbamoyl}-1-[(1-benzyl-1H-imidazol-2-yl)methyl]-3-hydroxypyridinium
Formula:	C24 H24 N5 O2
SMILES:	O=C(Nc1ccc(cc1)CN)c2c(O)ccc[n+]2Cc3nccn3Cc4ccccc4
InChi:	InChI=1S/C24H23N5O2/c25-15-18-8-10-20(11-9-18)27-24(31)23-21(30)7-4-13-29(23)17-22-26-12-14-28(22)16-19-5-2-1-3-6-19/h1-14H,15-17,25H2,(H-,27,30,31)/p+1
Definition date:	2012-01-19
Last modified:	2012-03-16
Identifier:	2-{[4-(aminomethyl)phenyl]carbamoyl}-1-[(1-benzyl-1H-imidazol-2-yl)methyl]-3-hydroxypyridinium

0JQ

0JQ
Name:	2-{1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methylpyridin-2-yl]piperidin-4-yl}propan-2-ol
Formula:	C24 H30 N4 O3
SMILES:	n3cc(c1c2cc(OC)c(OC)cc2nnc1)cc(c3N4CCC(CC4)C(O)(C)C)C
InChi:	InChI=1S/C24H30N4O3/c1-15-10-16(13-25-23(15)28-8-6-17(7-9-28)24(2,3)29)19-14-26-27-20-12-22(31-5)21(30-4)11-18(19)20/h10-14,17,29H,6-9H2,1-5H3
Definition date:	2012-01-26
Last modified:	2012-03-16
Identifier:	2-{1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methylpyridin-2-yl]piperidin-4-yl}propan-2-ol

0JV

0JV
Name:	methyl N-[(3S,3aR,5R,6aR)-5-[[(2S,3R)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamoyloxy]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl]carbamate
Formula:	C31 H43 N3 O9 S
SMILES:	O=S(=O)(c1ccc(OC)cc1)N(CC(C)C)CC(O)C(NC(=O)OC3CC2C(OCC2NC(=O)OC)C3)Cc4ccccc4
InChi:	InChI=1S/C31H43N3O9S/c1-20(2)17-34(44(38,39)24-12-10-22(40-3)11-13-24)18-28(35)26(14-21-8-6-5-7-9-21)32-31(37)43-23-15-25-27(33-30(36)41-4)19-42-29(25)16-23/h5-13,20,23,25-29,35H,14-19H2,1-4H3,(H,32,37)(H,33,36)/t23-,25-,26+,27-,28-,29-/m1/s1
Definition date:	2012-01-27
Last modified:	2012-03-16
Identifier:	(3S,3aR,5R,6aR)-3-[(methoxycarbonyl)amino]hexahydro-2H-cyclopenta[b]furan-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate (non-preferred name)

0KK

0KK
Name:	(2E)-2-imino-3-methyl-5,5-diphenylimidazolidin-4-one
Formula:	C16 H15 N3 O
SMILES:	O=C2N(C(=[N@H])NC2(c1ccccc1)c3ccccc3)C
InChi:	InChI=1S/C16H15N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H2,17,18)
Definition date:	2012-02-03
Last modified:	2012-03-16
Identifier:	(2E)-2-imino-3-methyl-5,5-diphenylimidazolidin-4-one

0KM

0KM
Name:	(2E,5R)-2-imino-5-(3'-methoxybiphenyl-3-yl)-3-methyl-5-phenylimidazolidin-4-one
Formula:	C23 H21 N3 O2
SMILES:	O=C3N(C(=[N@H])NC3(c2cc(c1cccc(OC)c1)ccc2)c4ccccc4)C
InChi:	InChI=1S/C23H21N3O2/c1-26-21(27)23(25-22(26)24,18-10-4-3-5-11-18)19-12-6-8-16(14-19)17-9-7-13-20(15-17)28-2/h3-15H,1-2H3,(H2,24,25)/t23-/m1/s1
Definition date:	2012-02-03
Last modified:	2012-03-16
Identifier:	(2E,5R)-2-imino-5-(3'-methoxybiphenyl-3-yl)-3-methyl-5-phenylimidazolidin-4-one

0KP

0KP
Name:	(2E,5R)-2-imino-3-methyl-5-phenyl-5-[3-(pyridin-3-yl)phenyl]imidazolidin-4-one
Formula:	C21 H18 N4 O
SMILES:	O=C3N(C(=[N@H])NC3(c2cc(c1cccnc1)ccc2)c4ccccc4)C
InChi:	InChI=1S/C21H18N4O/c1-25-19(26)21(24-20(25)22,17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-23-14-16/h2-14H,1H3,(H2,22,24)/t21-/m1/s1
Definition date:	2012-02-06
Last modified:	2012-03-16
Identifier:	(2E,5R)-2-imino-3-methyl-5-phenyl-5-[3-(pyridin-3-yl)phenyl]imidazolidin-4-one

0KQ

0KQ
Name:	(2E,5R)-5-[3-(5-chloropyridin-3-yl)phenyl]-5-cyclopropyl-2-imino-3-methylimidazolidin-4-one
Formula:	C18 H17 Cl N4 O
SMILES:	O=C1N(C(=[N@H])NC1(c3cccc(c2cc(Cl)cnc2)c3)C4CC4)C
InChi:	InChI=1S/C18H17ClN4O/c1-23-16(24)18(13-5-6-13,22-17(23)20)14-4-2-3-11(7-14)12-8-15(19)10-21-9-12/h2-4,7-10,13H,5-6H2,1H3,(H2,20,22)/t18-/m1/s1
Definition date:	2012-02-06
Last modified:	2012-03-16
Identifier:	(2E,5R)-5-[3-(5-chloropyridin-3-yl)phenyl]-5-cyclopropyl-2-imino-3-methylimidazolidin-4-one

0KR

0KR
Name:	(2E,5R)-5-cyclopropyl-2-imino-3-methyl-5-{3-[5-(prop-1-yn-1-yl)pyridin-3-yl]phenyl}imidazolidin-4-one
Formula:	C21 H20 N4 O
SMILES:	O=C1N(C(=[N@H])NC1(c3cccc(c2cc(C#CC)cnc2)c3)C4CC4)C
InChi:	InChI=1S/C21H20N4O/c1-3-5-14-10-16(13-23-12-14)15-6-4-7-18(11-15)21(17-8-9-17)19(26)25(2)20(22)24-21/h4,6-7,10-13,17H,8-9H2,1-2H3,(H2,22,24)/t21-/m1/s1
Definition date:	2012-02-06
Last modified:	2012-03-16
Identifier:	(2E,5R)-5-cyclopropyl-2-imino-3-methyl-5-{3-[5-(prop-1-yn-1-yl)pyridin-3-yl]phenyl}imidazolidin-4-one

0KS

0KS
Name:	N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylbenzenesulfonamide
Formula:	C16 H13 F6 N O3 S
SMILES:	O=S(=O)(N(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)C)c2ccccc2
InChi:	InChI=1S/C16H13F6NO3S/c1-23(27(25,26)13-5-3-2-4-6-13)12-9-7-11(8-10-12)14(24,15(17,18)19)16(20,21)22/h2-10,24H,1H3
Definition date:	2012-02-06
Last modified:	2012-03-16
Identifier:	N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylbenzenesulfonamide

0KT

0KT
Name:	N-methyl-N-(4-{(1S)-2,2,2-trifluoro-1-hydroxy-1-[1-(2-methoxyethyl)-1H-pyrrol-2-yl]ethyl}phenyl)benzenesulfonamide
Formula:	C22 H23 F3 N2 O4 S
SMILES:	O=S(=O)(c1ccccc1)N(c2ccc(cc2)C(O)(c3cccn3CCOC)C(F)(F)F)C
InChi:	InChI=1S/C22H23F3N2O4S/c1-26(32(29,30)19-7-4-3-5-8-19)18-12-10-17(11-13-18)21(28,22(23,24)25)20-9-6-14-27(20)15-16-31-2/h3-14,28H,15-16H2,1-2H3/t21-/m0/s1
Definition date:	2012-02-06
Last modified:	2012-03-16
Identifier:	N-methyl-N-(4-{(1S)-2,2,2-trifluoro-1-hydroxy-1-[1-(2-methoxyethyl)-1H-pyrrol-2-yl]ethyl}phenyl)benzenesulfonamide

0KY

0KY
Name:	3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one
Formula:	C10 H14 N4 O2 S
SMILES:	O=C2c1ncnc1N(C(=S)N2)CC(OCC)C
InChi:	InChI=1S/C10H14N4O2S/c1-3-16-6(2)4-14-8-7(11-5-12-8)9(15)13-10(14)17/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,15,17)/t6-/m1/s1
Definition date:	2012-02-06
Last modified:	2012-03-16
Identifier:	3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one

0L9

0L9
Name:	(2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid
Formula:	C19 H15 Br Cl N O3
SMILES:	O=C(O)C(OC)c1c(c2cc(Br)ccc2nc1C)c3ccc(Cl)cc3
InChi:	InChI=1S/C19H15BrClNO3/c1-10-16(18(25-2)19(23)24)17(11-3-6-13(21)7-4-11)14-9-12(20)5-8-15(14)22-10/h3-9,18H,1-2H3,(H,23,24)/t18-/m0/s1
Definition date:	2012-02-10
Last modified:	2012-03-16
Identifier:	(2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid

YS4

YS4
Name:	[({4-[4-(propan-2-yloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid)
Formula:	C15 H20 N2 O7 P2
SMILES:	O=P(O)(O)C(Nc1nccc(c1)c2ccc(OC(C)C)cc2)P(=O)(O)O
InChi:	InChI=1S/C15H20N2O7P2/c1-10(2)24-13-5-3-11(4-6-13)12-7-8-16-14(9-12)17-15(25(18,19)20)26(21,22)23/h3-10,15H,1-2H3,(H,16,17)(H2,18,19,20)(H2,21,22,23)
Definition date:	2012-01-30
Last modified:	2012-03-16
Identifier:	[({4-[4-(propan-2-yloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid)

JDC

JDC
Name:	(3R)-7-hydroxy-N-{(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Formula:	C28 H39 N3 O3
SMILES:	O=C(NC(CN2CCC(c1cccc(O)c1)(C(C2)C)C)C(C)C)C4NCc3cc(O)ccc3C4
InChi:	InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
Definition date:	2012-02-02
Last modified:	2012-03-16
Identifier:	(3R)-7-hydroxy-N-{(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

5AO

5AO
Name:	3-(1,3-oxazol-5-yl)aniline
Formula:	C9 H8 N2 O
SMILES:	n1cc(oc1)c2cc(ccc2)N
InChi:	InChI=1S/C9H8N2O/c10-8-3-1-2-7(4-8)9-5-11-6-12-9/h1-6H,10H2
Definition date:	2011-04-01
Last modified:	2012-03-16
Identifier:	3-(1,3-oxazol-5-yl)aniline

4SO

4SO
Name:	4-sulfamoylbenzoic acid
Formula:	C7 H7 N O4 S
SMILES:	O=S(=O)(N)c1ccc(C(=O)O)cc1
InChi:	InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)
Definition date:	2011-03-22
Last modified:	2012-03-16
Identifier:	4-sulfamoylbenzoic acid

6AI

6AI
Name:	1H-indazol-6-amine
Formula:	C7 H7 N3
SMILES:	n2cc1ccc(cc1n2)N
InChi:	InChI=1S/C7H7N3/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,8H2,(H,9,10)
Definition date:	2011-03-22
Last modified:	2012-03-16
Identifier:	1H-indazol-6-amine

Q8A

Q8A
Name:	quinolin-8-amine
Formula:	C9 H8 N2
SMILES:	n1cccc2cccc(N)c12
InChi:	InChI=1S/C9H8N2/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,10H2
Definition date:	2011-03-22
Last modified:	2012-03-16
Identifier:	quinolin-8-amine

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