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Z71

Z71
Name:	4-amino-N-(3,5-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide
Formula:	C16 H13 F2 N5 O3 S2
SMILES:	Fc1cc(cc(F)c1)NC(=O)c2sc(nc2N)Nc3ccc(cc3)S(=O)(=O)N
InChi:	InChI=1S/C16H13F2N5O3S2/c17-8-5-9(18)7-11(6-8)21-15(24)13-14(19)23-16(27-13)22-10-1-3-12(4-2-10)28(20,25)26/h1-7H,19H2,(H,21,24)(H,22,23)(H2,20,25,26)
Definition date:	2011-03-29
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	4-amino-N-(3,5-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide

X02

X02
Name:	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](phenyl)methanone
Formula:	C13 H13 N3 O S
SMILES:	O=C(c1sc(nc1N)NC/C=C)c2ccccc2
InChi:	InChI=1S/C13H13N3OS/c1-2-8-15-13-16-12(14)11(18-13)10(17)9-6-4-3-5-7-9/h2-7H,1,8,14H2,(H,15,16)
Definition date:	2011-02-17
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](phenyl)methanone

0O9

0O9
Name:	(2S)-2-methoxy-3-(octadecyloxy)propyl (1R,2R,3R,4S,6S)-2,3,4-trihydroxy-6-(2-methylpropoxy)cyclohexyl hydrogen (S)-phosphate
Formula:	C32 H65 O10 P
SMILES:	O=P(O)(OC1C(OCC(C)C)CC(O)C(O)C1O)OCC(OC)COCCCCCCCCCCCCCCCCCC
InChi:	InChI=1S/C32H65O10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-39-24-27(38-4)25-41-43(36,37)42-32-29(40-23-26(2)3)22-28(33)30(34)31(32)35/h26-35H,5-25H2,1-4H3,(H,36,37)/t27-,28-,29-,30+,31+,32-/m0/s1
Definition date:	2012-03-29
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	(2S)-2-methoxy-3-(octadecyloxy)propyl (1R,2R,3R,4S,6S)-2,3,4-trihydroxy-6-(2-methylpropoxy)cyclohexyl hydrogen (S)-phosphate

0RB

0RB
Name:	2-amino-4-oxo-N-(1H-1,2,3-triazol-5-ylmethyl)-1,4-dihydropteridine-7-carboxamide
Formula:	C10 H9 N9 O2
SMILES:	O=C(NCc1cnnn1)c2nc3c(nc2)C(=O)N=C(N)N3
InChi:	InChI=1S/C10H9N9O2/c11-10-16-7-6(9(21)17-10)12-3-5(15-7)8(20)13-1-4-2-14-19-18-4/h2-3H,1H2,(H,13,20)(H,14,18,19)(H3,11,15,16,17,21)
Definition date:	2012-04-27
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	2-amino-4-oxo-N-(1H-1,2,3-triazol-5-ylmethyl)-1,4-dihydropteridine-7-carboxamide

X36

X36
Name:	[4-amino-2-(phenylamino)-1,3-thiazol-5-yl](phenyl)methanone
Formula:	C16 H13 N3 O S
SMILES:	O=C(c1sc(nc1N)Nc2ccccc2)c3ccccc3
InChi:	InChI=1S/C16H13N3OS/c17-15-14(13(20)11-7-3-1-4-8-11)21-16(19-15)18-12-9-5-2-6-10-12/h1-10H,17H2,(H,18,19)
Definition date:	2011-02-25
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	[4-amino-2-(phenylamino)-1,3-thiazol-5-yl](phenyl)methanone

X3A

X3A
Name:	[4-amino-2-(phenylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone
Formula:	C15 H12 N4 O S
SMILES:	O=C(c1sc(nc1N)Nc2ccccc2)c3cccnc3
InChi:	InChI=1S/C15H12N4OS/c16-14-13(12(20)10-5-4-8-17-9-10)21-15(19-14)18-11-6-2-1-3-7-11/h1-9H,16H2,(H,18,19)
Definition date:	2011-02-25
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	[4-amino-2-(phenylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone

X40

X40
Name:	4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
Formula:	C15 H13 N5 O3 S2
SMILES:	O=S(=O)(N)c3ccc(Nc1nc(c(s1)C(=O)c2cccnc2)N)cc3
InChi:	InChI=1S/C15H13N5O3S2/c16-14-13(12(21)9-2-1-7-18-8-9)24-15(20-14)19-10-3-5-11(6-4-10)25(17,22)23/h1-8H,16H2,(H,19,20)(H2,17,22,23)
Definition date:	2011-02-25
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide

X42

X42
Name:	4-{[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
Formula:	C16 H13 F N4 O3 S2
SMILES:	Fc1cccc(c1)C(=O)c2sc(nc2N)Nc3ccc(cc3)S(=O)(=O)N
InChi:	InChI=1S/C16H13FN4O3S2/c17-10-3-1-2-9(8-10)13(22)14-15(18)21-16(25-14)20-11-4-6-12(7-5-11)26(19,23)24/h1-8H,18H2,(H,20,21)(H2,19,23,24)
Definition date:	2011-02-25
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	4-{[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide

X43

X43
Name:	4-{[4-amino-5-(3-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
Formula:	C16 H13 N5 O5 S2
SMILES:	[O-][N+](=O)c1cccc(c1)C(=O)c2sc(nc2N)Nc3ccc(cc3)S(=O)(=O)N
InChi:	InChI=1S/C16H13N5O5S2/c17-15-14(13(22)9-2-1-3-11(8-9)21(23)24)27-16(20-15)19-10-4-6-12(7-5-10)28(18,25)26/h1-8H,17H2,(H,19,20)(H2,18,25,26)
Definition date:	2011-02-25
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	4-{[4-amino-5-(3-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide

X44

X44
Name:	4-{[4-amino-5-(4-sulfamoylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
Formula:	C16 H15 N5 O5 S3
SMILES:	O=S(=O)(N)c1ccc(cc1)C(=O)c2sc(nc2N)Nc3ccc(cc3)S(=O)(=O)N
InChi:	InChI=1S/C16H15N5O5S3/c17-15-14(13(22)9-1-5-11(6-2-9)28(18,23)24)27-16(21-15)20-10-3-7-12(8-4-10)29(19,25)26/h1-8H,17H2,(H,20,21)(H2,18,23,24)(H2,19,25,26)
Definition date:	2011-02-25
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	4-{[4-amino-5-(4-sulfamoylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide

X46

X46
Name:	[4-amino-2-(phenylamino)-1,3-thiazol-5-yl](3-methoxyphenyl)methanone
Formula:	C17 H15 N3 O2 S
SMILES:	O=C(c1sc(nc1N)Nc2ccccc2)c3cccc(OC)c3
InChi:	InChI=1S/C17H15N3O2S/c1-22-13-9-5-6-11(10-13)14(21)15-16(18)20-17(23-15)19-12-7-3-2-4-8-12/h2-10H,18H2,1H3,(H,19,20)
Definition date:	2011-02-25
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	[4-amino-2-(phenylamino)-1,3-thiazol-5-yl](3-methoxyphenyl)methanone

0SX

0SX
Name:	8-chloro-2-[(2S)-pyrrolidin-2-yl][1]benzofuro[3,2-d]pyrimidin-4(3H)-one
Formula:	C14 H12 Cl N3 O2
SMILES:	Clc4cc3c(oc1c3N=C(NC1=O)C2NCCC2)cc4
InChi:	InChI=1S/C14H12ClN3O2/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,18,19)/t9-/m0/s1
Definition date:	2012-05-24
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	8-chloro-2-[(2S)-pyrrolidin-2-yl][1]benzofuro[3,2-d]pyrimidin-4(3H)-one

0SY

0SY
Name:	2-(pyridin-4-yl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
Formula:	C12 H11 N3 O
SMILES:	O=C2c1cc(nc1CCN2)c3ccncc3
InChi:	InChI=1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16)
Definition date:	2012-05-24
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	2-(pyridin-4-yl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one

X64

X64
Name:	4-{[4-amino-5-(2-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
Formula:	C16 H13 N5 O5 S2
SMILES:	[O-][N+](=O)c1ccccc1C(=O)c2sc(nc2N)Nc3ccc(cc3)S(=O)(=O)N
InChi:	InChI=1S/C16H13N5O5S2/c17-15-14(13(22)11-3-1-2-4-12(11)21(23)24)27-16(20-15)19-9-5-7-10(8-6-9)28(18,25)26/h1-8H,17H2,(H,19,20)(H2,18,25,26)
Definition date:	2011-03-03
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	4-{[4-amino-5-(2-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide

X6B

X6B
Name:	4-amino-N-(3-fluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide
Formula:	C16 H14 F N5 O3 S2
SMILES:	Fc1cccc(c1)NC(=O)c2sc(nc2N)Nc3ccc(cc3)S(=O)(=O)N
InChi:	InChI=1S/C16H14FN5O3S2/c17-9-2-1-3-11(8-9)20-15(23)13-14(18)22-16(26-13)21-10-4-6-12(7-5-10)27(19,24)25/h1-8H,18H2,(H,20,23)(H,21,22)(H2,19,24,25)
Definition date:	2011-03-29
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	4-amino-N-(3-fluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide

75A

75A
Name:	N-acetyl-4-[difluoro(phosphono)methyl]-L-phenylalanyl-N~5~-(3-iodobenzoyl)-L-ornithinamide
Formula:	C24 H28 F2 I N4 O7 P
SMILES:	O=C(c1cc(I)ccc1)NCCCC(C(=O)N)NC(=O)C(NC(=O)C)Cc2ccc(cc2)C(F)(F)P(=O)(O)O
InChi:	InChI=1S/C24H28F2IN4O7P/c1-14(32)30-20(12-15-7-9-17(10-8-15)24(25,26)39(36,37)38)23(35)31-19(21(28)33)6-3-11-29-22(34)16-4-2-5-18(27)13-16/h2,4-5,7-10,13,19-20H,3,6,11-12H2,1H3,(H2,28,33)(H,29,34)(H,30,32)(H,31,35)(H2,36,37,38)/t19-,20-/m0/s1
Definition date:	2012-08-10
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	N-acetyl-4-[difluoro(phosphono)methyl]-L-phenylalanyl-N~5~-(3-iodobenzoyl)-L-ornithinamide

JKK

JKK
Name:	2-[(3-chlorobenzyl)amino]ethanesulfonic acid
Formula:	C9 H12 Cl N O3 S
SMILES:	Clc1cc(ccc1)CNCCS(=O)(=O)O
InChi:	InChI=1S/C9H12ClNO3S/c10-9-3-1-2-8(6-9)7-11-4-5-15(12,13)14/h1-3,6,11H,4-5,7H2,(H,12,13,14)
Definition date:	2012-06-29
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	2-[(3-chlorobenzyl)amino]ethanesulfonic acid

LL9

LL9
Name:	2-[(3-chloro-4-methoxybenzyl)amino]ethanesulfonic acid
Formula:	C10 H14 Cl N O4 S
SMILES:	Clc1cc(ccc1OC)CNCCS(=O)(=O)O
InChi:	InChI=1S/C10H14ClNO4S/c1-16-10-3-2-8(6-9(10)11)7-12-4-5-17(13,14)15/h2-3,6,12H,4-5,7H2,1H3,(H,13,14,15)
Definition date:	2012-07-02
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	2-[(3-chloro-4-methoxybenzyl)amino]ethanesulfonic acid

MFY

MFY
Name:	2-[(4-chlorobenzyl)amino]ethanesulfonic acid
Formula:	C9 H12 Cl N O3 S
SMILES:	Clc1ccc(cc1)CNCCS(=O)(=O)O
InChi:	InChI=1S/C9H12ClNO3S/c10-9-3-1-8(2-4-9)7-11-5-6-15(12,13)14/h1-4,11H,5-7H2,(H,12,13,14)
Definition date:	2012-06-29
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	2-[(4-chlorobenzyl)amino]ethanesulfonic acid

7HV

7HV
Name:	2-[(3,4-dichlorobenzyl)amino]ethanesulfonic acid
Formula:	C9 H11 Cl2 N O3 S
SMILES:	Clc1ccc(cc1Cl)CNCCS(=O)(=O)O
InChi:	InChI=1S/C9H11Cl2NO3S/c10-8-2-1-7(5-9(8)11)6-12-3-4-16(13,14)15/h1-2,5,12H,3-4,6H2,(H,13,14,15)
Definition date:	2012-07-02
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	2-[(3,4-dichlorobenzyl)amino]ethanesulfonic acid

0V7

0V7
Name:	2-[(3-fluorobenzyl)amino]ethanesulfonic acid
Formula:	C9 H12 F N O3 S
SMILES:	Fc1cc(ccc1)CNCCS(=O)(=O)O
InChi:	InChI=1S/C9H12FNO3S/c10-9-3-1-2-8(6-9)7-11-4-5-15(12,13)14/h1-3,6,11H,4-5,7H2,(H,12,13,14)
Definition date:	2012-07-02
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	2-[(3-fluorobenzyl)amino]ethanesulfonic acid

0V8

0V8
Name:	2-[(3-bromobenzyl)amino]ethanesulfonic acid
Formula:	C9 H12 Br N O3 S
SMILES:	Brc1cc(ccc1)CNCCS(=O)(=O)O
InChi:	InChI=1S/C9H12BrNO3S/c10-9-3-1-2-8(6-9)7-11-4-5-15(12,13)14/h1-3,6,11H,4-5,7H2,(H,12,13,14)
Definition date:	2012-07-02
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	2-[(3-bromobenzyl)amino]ethanesulfonic acid

13F

13F
Name:	3-methyl-2-oxo-N-phenyl-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
Formula:	C15 H15 N3 O3 S
SMILES:	O=S(=O)(c1ccc2NC(=O)N(Cc2c1)C)Nc3ccccc3
InChi:	InChI=1S/C15H15N3O3S/c1-18-10-11-9-13(7-8-14(11)16-15(18)19)22(20,21)17-12-5-3-2-4-6-12/h2-9,17H,10H2,1H3,(H,16,19)
Definition date:	2012-10-02
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	3-methyl-2-oxo-N-phenyl-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

14X

14X
Name:	3-methyl-6-(pyrrolidin-1-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one
Formula:	C13 H17 N3 O3 S
SMILES:	O=S(=O)(c2cc1c(NC(=O)N(C)C1)cc2)N3CCCC3
InChi:	InChI=1S/C13H17N3O3S/c1-15-9-10-8-11(4-5-12(10)14-13(15)17)20(18,19)16-6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,14,17)
Definition date:	2012-10-11
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	3-methyl-6-(pyrrolidin-1-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one

14Z

14Z
Name:	N-ethyl-3-methyl-2-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
Formula:	C11 H15 N3 O3 S
SMILES:	O=S(=O)(c1ccc2NC(=O)N(Cc2c1)C)NCC
InChi:	InChI=1S/C11H15N3O3S/c1-3-12-18(16,17)9-4-5-10-8(6-9)7-14(2)11(15)13-10/h4-6,12H,3,7H2,1-2H3,(H,13,15)
Definition date:	2012-10-11
Last modified:	2012-10-26
Release date:	2012-10-26
Identifier:	N-ethyl-3-methyl-2-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

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