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13Q
13Q
Name:[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-2-oxopiperidin-3-yl]acetic acid
Formula:C23 H23 Cl2 N O3
SMILES:O=C(O)CC4C(=O)N(CC1CC1)C(c2ccc(Cl)cc2)C(c3cccc(Cl)c3)C4
InChi:InChI=1S/C23H23Cl2NO3/c24-18-8-6-15(7-9-18)22-20(16-2-1-3-19(25)10-16)11-17(12-21(27)28)23(29)26(22)13-14-4-5-14/h1-3,6-10,14,17,20,22H,4-5,11-13H2,(H,27,28)/t17-,20-,22-/m1/s1
Definition date:2012-10-03
Last modified:2012-11-02
Release date:2012-11-02
Identifier:[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-2-oxopiperidin-3-yl]acetic acid
G6I
G6I
Name:N-{3-[(3-{4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]-4-methylphenyl}-3-(trifluoromethyl)benzamide
Formula:C30 H24 F3 N7 O2
SMILES:FC(F)(F)c1cccc(c1)C(=O)Nc2cc(c(cc2)C)Nc5ncccc5c3ncnc(n3)Nc4ccc(OC)cc4
InChi:InChI=1S/C30H24F3N7O2/c1-18-8-9-22(37-28(41)19-5-3-6-20(15-19)30(31,32)33)16-25(18)39-26-24(7-4-14-34-26)27-35-17-36-29(40-27)38-21-10-12-23(42-2)13-11-21/h3-17H,1-2H3,(H,34,39)(H,37,41)(H,35,36,38,40)
Definition date:2012-05-03
Last modified:2012-11-02
Release date:2012-11-02
Identifier:N-{3-[(3-{4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]-4-methylphenyl}-3-(trifluoromethyl)benzamide
I92
I92
Name:4-(2-bromophenyl)-2,4-dioxobutanoic acid
Formula:C10 H7 Br O4
SMILES:O=C(c1ccccc1Br)CC(=O)C(=O)O
InChi:InChI=1S/C10H7BrO4/c11-7-4-2-1-3-6(7)8(12)5-9(13)10(14)15/h1-4H,5H2,(H,14,15)
Definition date:2011-06-06
Last modified:2012-11-02
Release date:2012-11-02
Identifier:4-(2-bromophenyl)-2,4-dioxobutanoic acid
FRO
FRO
Name:(5R,6S)-6-[(1R)-1-HYDROXYETHYL]-7-OXO-3-[(2R)-TETRAHYDROFURAN-2-YL]-4-THIA-1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLATE
Formula:C12 H14 N O5 S
SMILES:O=C2N1C(=C(SC1C2C(O)C)C3OCCC3)C([O-])=O
InChi:InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/p-1/t5-,6+,7-,11+/m0/s1
Synonyms:FAROM
Definition date:2005-11-15
Last modified:2012-11-01
Identifier:(5R,6S)-6-[(1S)-1-hydroxyethyl]-7-oxo-3-[(2R)-tetrahydrofuran-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
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
02Z
02Z
Name:4-amino-2-(phenylamino)-1,3-thiazole-5-carboxamide
Formula:C10 H10 N4 O S
SMILES:O=C(c1sc(nc1N)Nc2ccccc2)N
InChi:InChI=1S/C10H10N4OS/c11-8-7(9(12)15)16-10(14-8)13-6-4-2-1-3-5-6/h1-5H,11H2,(H2,12,15)(H,13,14)
Definition date:2011-05-12
Last modified:2012-10-26
Release date:2012-10-26
Identifier:4-amino-2-(phenylamino)-1,3-thiazole-5-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
03Z
03Z
Name:4-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide
Formula:C16 H14 N4 O3 S2
SMILES:O=S(=O)(N)c3ccc(Nc1nc(c(s1)C(=O)c2ccccc2)N)cc3
InChi:InChI=1S/C16H14N4O3S2/c17-15-14(13(21)10-4-2-1-3-5-10)24-16(20-15)19-11-6-8-12(9-7-11)25(18,22)23/h1-9H,17H2,(H,19,20)(H2,18,22,23)
Definition date:2011-03-29
Last modified:2012-10-26
Release date:2012-10-26
Identifier:4-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide
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
04Z
04Z
Name:4-{[4-amino-5-(3-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
Formula:C17 H16 N4 O4 S2
SMILES:O=S(=O)(N)c3ccc(Nc1nc(c(s1)C(=O)c2cccc(OC)c2)N)cc3
InChi:InChI=1S/C17H16N4O4S2/c1-25-12-4-2-3-10(9-12)14(22)15-16(18)21-17(26-15)20-11-5-7-13(8-6-11)27(19,23)24/h2-9H,18H2,1H3,(H,20,21)(H2,19,23,24)
Definition date:2011-03-29
Last modified:2012-10-26
Release date:2012-10-26
Identifier:4-{[4-amino-5-(3-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
Z31
Z31
Name:[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](naphthalen-2-yl)methanone
Formula:C17 H15 N3 O S
SMILES:O=C(c1sc(nc1N)NC/C=C)c3cc2ccccc2cc3
InChi:InChI=1S/C17H15N3OS/c1-2-9-19-17-20-16(18)15(22-17)14(21)13-8-7-11-5-3-4-6-12(11)10-13/h2-8,10H,1,9,18H2,(H,19,20)
Definition date:2011-03-25
Last modified:2012-10-26
Release date:2012-10-26
Identifier:[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](naphthalen-2-yl)methanone
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
06Z
06Z
Name:{4-amino-2-[(3-fluorophenyl)amino]-1,3-thiazol-5-yl}(phenyl)methanone
Formula:C16 H12 F N3 O S
SMILES:Fc3cc(Nc1nc(c(s1)C(=O)c2ccccc2)N)ccc3
InChi:InChI=1S/C16H12FN3OS/c17-11-7-4-8-12(9-11)19-16-20-15(18)14(22-16)13(21)10-5-2-1-3-6-10/h1-9H,18H2,(H,19,20)
Definition date:2011-04-18
Last modified:2012-10-26
Release date:2012-10-26
Identifier:{4-amino-2-[(3-fluorophenyl)amino]-1,3-thiazol-5-yl}(phenyl)methanone
Z67
Z67
Name:4-amino-N-(2,6-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide
Formula:C16 H13 F2 N5 O3 S2
SMILES:Fc1cccc(F)c1NC(=O)c2sc(nc2N)Nc3ccc(cc3)S(=O)(=O)N
InChi:InChI=1S/C16H13F2N5O3S2/c17-10-2-1-3-11(18)12(10)22-15(24)13-14(19)23-16(27-13)21-8-4-6-9(7-5-8)28(20,25)26/h1-7H,19H2,(H,21,23)(H,22,24)(H2,20,25,26)
Definition date:2011-03-29
Last modified:2012-10-26
Release date:2012-10-26
Identifier:4-amino-N-(2,6-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide
Z68
Z68
Name:[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone
Formula:C16 H18 N4 O3 S
SMILES:[O-][N+](=O)c1cccc(c1)C(=O)c2sc(nc2N)NC3CCCCC3
InChi:InChI=1S/C16H18N4O3S/c17-15-14(13(21)10-5-4-8-12(9-10)20(22)23)24-16(19-15)18-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,17H2,(H,18,19)
Definition date:2011-03-29
Last modified:2012-10-26
Release date:2012-10-26
Identifier:[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone
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
07Z
07Z
Name:4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzoic acid
Formula:C16 H12 N4 O3 S
SMILES:O=C(O)c3ccc(Nc1nc(c(s1)C(=O)c2cccnc2)N)cc3
InChi:InChI=1S/C16H12N4O3S/c17-14-13(12(21)10-2-1-7-18-8-10)24-16(20-14)19-11-5-3-9(4-6-11)15(22)23/h1-8H,17H2,(H,19,20)(H,22,23)
Definition date:2011-04-18
Last modified:2012-10-26
Release date:2012-10-26
Identifier:4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzoic acid
08Z
08Z
Name:4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzamide
Formula:C16 H13 N5 O2 S
SMILES:O=C(N)c3ccc(Nc1nc(c(s1)C(=O)c2cccnc2)N)cc3
InChi:InChI=1S/C16H13N5O2S/c17-14-13(12(22)10-2-1-7-19-8-10)24-16(21-14)20-11-5-3-9(4-6-11)15(18)23/h1-8H,17H2,(H2,18,23)(H,20,21)
Definition date:2011-04-18
Last modified:2012-10-26
Release date:2012-10-26
Identifier:4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzamide
09Z
09Z
Name:[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone
Formula:C12 H14 N4 O S
SMILES:O=C(c1sc(nc1N)NC(C)C)c2cccnc2
InChi:InChI=1S/C12H14N4OS/c1-7(2)15-12-16-11(13)10(18-12)9(17)8-4-3-5-14-6-8/h3-7H,13H2,1-2H3,(H,15,16)
Definition date:2011-04-18
Last modified:2012-10-26
Release date:2012-10-26
Identifier:[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone

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