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FRT
FRT
Name:N-(2-METHOXYETHYL)-4-({4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE
Formula:C20 H26 N6 O3 S
SMILES:O=S(=O)(NCCOC)c1ccc(cc1)Nc2nccc(n2)c3cnc(n3C(C)C)C
InChi:InChI=1S/C20H26N6O3S/c1-14(2)26-15(3)22-13-19(26)18-9-10-21-20(25-18)24-16-5-7-17(8-6-16)30(27,28)23-11-12-29-4/h5-10,13-14,23H,11-12H2,1-4H3,(H,21,24,25)
Definition date:2008-08-08
Last modified:2011-06-04
Identifier:N-(2-methoxyethyl)-4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)benzenesulfonamide
FRV
FRV
Name:4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-N-METHYLBENZENESULFONAMIDE
Formula:C18 H20 N6 O2 S
SMILES:O=S(=O)(NC)c1ccc(cc1)Nc2nccc(n2)c3cnc(n3C4CC4)C
InChi:InChI=1S/C18H20N6O2S/c1-12-21-11-17(24(12)14-5-6-14)16-9-10-20-18(23-16)22-13-3-7-15(8-4-13)27(25,26)19-2/h3-4,7-11,14,19H,5-6H2,1-2H3,(H,20,22,23)
Definition date:2008-08-08
Last modified:2011-06-04
Identifier:4-{[4-(1-cyclopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide
ESH
ESH
Name:4- [(1R,3AS,4R,8AS,8BR)- 2- (4-CHLOROBENZYL)- 1- ISOPROPYL- 3- OXODECAHYDROPYRROLO[3,4- A]PYRROLIZIN- 4- YL]BENZENECARBOXIMIDAMIDE
Formula:C26 H31 Cl N4 O
SMILES:Clc1ccc(cc1)CN2C(=O)C5C(C2C(C)C)C3N(CCC3)C5c4ccc(C(=[N@H])N)cc4
InChi:InChI=1S/C26H31ClN4O/c1-15(2)23-21-20-4-3-13-30(20)24(17-7-9-18(10-8-17)25(28)29)22(21)26(32)31(23)14-16-5-11-19(27)12-6-16/h5-12,15,20-24H,3-4,13-14H2,1-2H3,(H3,28,29)/t20-,21-,22-,23+,24-/m0/s1
Definition date:2006-02-17
Last modified:2011-06-04
Identifier:4-[(1R,3aS,4R,8aS,8bR)-2-(4-chlorobenzyl)-1-(1-methylethyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide
ETP
ETP
Name:3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID
Formula:C16 H14 B N O6 S3
SMILES:O=S(=O)(c1csc(c1)S(=O)(=O)Nc2cccc(B(O)O)c2)c3ccccc3
InChi:InChI=1S/C16H14BNO6S3/c19-17(20)12-5-4-6-13(9-12)18-27(23,24)16-10-15(11-25-16)26(21,22)14-7-2-1-3-8-14/h1-11,18-20H
Definition date:2000-12-07
Last modified:2011-06-04
Identifier:[3-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)phenyl]boronic acid
EYK
EYK
Name:2-tert-butylbenzene-1,4-diol
Formula:C10 H14 O2
SMILES:Oc1ccc(O)cc1C(C)(C)C
InChi:InChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3
Definition date:2008-10-30
Last modified:2011-06-04
Identifier:2-tert-butylbenzene-1,4-diol
F2I
F2I
Name:N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-IODOBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
Formula:C32 H38 F2 I N3 O3
SMILES:Ic1cc(ccc1)CNCC(O)C(NC(=O)c2cc(cc(C(=O)N(CCC)CCC)c2)C)Cc3cc(F)cc(F)c3
InChi:InChI=1S/C32H38F2IN3O3/c1-4-9-38(10-5-2)32(41)25-12-21(3)11-24(17-25)31(40)37-29(16-23-13-26(33)18-27(34)14-23)30(39)20-36-19-22-7-6-8-28(35)15-22/h6-8,11-15,17-18,29-30,36,39H,4-5,9-10,16,19-20H2,1-3H3,(H,37,40)/t29-,30+/m0/s1
Definition date:2006-10-17
Last modified:2011-06-04
Identifier:N'-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-iodobenzyl)amino]propyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
G0G
G0G
Name:N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(N-BENZYLBENZENESULFONAMIDE)
Formula:C30 H31 N3 O4 S2
SMILES:O=S(=O)(N(C3C(N(Cc1ccccc1)S(=O)(=O)c2ccccc2)CNC3)Cc4ccccc4)c5ccccc5
InChi:InChI=1S/C30H31N3O4S2/c34-38(35,27-17-9-3-10-18-27)32(23-25-13-5-1-6-14-25)29-21-31-22-30(29)33(24-26-15-7-2-8-16-26)39(36,37)28-19-11-4-12-20-28/h1-20,29-31H,21-24H2/t29-,30-/m0/s1
Definition date:2007-05-08
Last modified:2011-06-04
Identifier:N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(N-benzylbenzenesulfonamide)
G3G
G3G
Name:N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-AMINO-N-BENZYLBENZENESULFONAMIDE)
Formula:C30 H33 N5 O4 S2
SMILES:O=S(=O)(N(C3C(N(Cc1ccccc1)S(=O)(=O)c2ccc(N)cc2)CNC3)Cc4ccccc4)c5ccc(N)cc5
InChi:InChI=1S/C30H33N5O4S2/c31-25-11-15-27(16-12-25)40(36,37)34(21-23-7-3-1-4-8-23)29-19-33-20-30(29)35(22-24-9-5-2-6-10-24)41(38,39)28-17-13-26(32)14-18-28/h1-18,29-30,33H,19-22,31-32H2/t29-,30-/m0/s1
Definition date:2007-05-16
Last modified:2011-06-04
Identifier:N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(4-amino-N-benzylbenzenesulfonamide)
G44
G44
Name:4-({[4-(3-METHYLBENZOYL)PYRIDIN-2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE
Formula:C21 H20 N4 O
SMILES:O=C(c2ccnc(NCc1ccc(C(=[N@H])N)cc1)c2)c3cccc(c3)C
InChi:InChI=1S/C21H20N4O/c1-14-3-2-4-17(11-14)20(26)18-9-10-24-19(12-18)25-13-15-5-7-16(8-6-15)21(22)23/h2-12H,13H2,1H3,(H3,22,23)(H,24,25)
Definition date:2007-05-14
Last modified:2011-06-04
Identifier:4-[({4-[(3-methylphenyl)carbonyl]pyridin-2-yl}amino)methyl]benzenecarboximidamide
2BM
2BM
Name:DIBROMOMETHANE
Formula:C H2 Br2
SMILES:BrCBr
InChi:InChI=1S/CH2Br2/c2-1-3/h1H2
Definition date:2000-10-13
Last modified:2011-06-04
Identifier:dibromomethane
2D9
2D9
Name:4-CHLORO-6-(4-{4-[4-(METHYLSULFONYL)BENZYL]PIPERAZIN-1-YL}-1H-PYRAZOL-5-YL)BENZENE-1,3-DIOL
Formula:C21 H23 Cl N4 O4 S
SMILES:Clc1cc(c(O)cc1O)c4nncc4N3CCN(Cc2ccc(cc2)S(=O)(=O)C)CC3
InChi:InChI=1S/C21H23ClN4O4S/c1-31(29,30)15-4-2-14(3-5-15)13-25-6-8-26(9-7-25)18-12-23-24-21(18)16-10-17(22)20(28)11-19(16)27/h2-5,10-12,27-28H,6-9,13H2,1H3,(H,23,24)
Definition date:2006-01-18
Last modified:2011-06-04
Identifier:4-chloro-6-(4-{4-[4-(methylsulfonyl)benzyl]piperazin-1-yl}-1H-pyrazol-5-yl)benzene-1,3-diol
2IB
2IB
Name:2-IODOBENZYL GROUP
Formula:C7 H7 I
SMILES:Ic1ccccc1C
InChi:InChI=1S/C7H7I/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:1-iodo-2-methylbenzene
2NQ
2NQ
Name:N-{2-chloro-5-[4-(morpholin-4-yl)quinolin-6-yl]pyridin-3-yl}-4-fluorobenzenesulfonamide
Formula:C24 H20 Cl F N4 O3 S
SMILES:Fc1ccc(cc1)S(=O)(=O)Nc2cc(cnc2Cl)c4cc3c(ccnc3cc4)N5CCOCC5
InChi:InChI=1S/C24H20ClFN4O3S/c25-24-22(29-34(31,32)19-4-2-18(26)3-5-19)14-17(15-28-24)16-1-6-21-20(13-16)23(7-8-27-21)30-9-11-33-12-10-30/h1-8,13-15,29H,9-12H2
Definition date:2011-05-19
Last modified:2011-06-04
Identifier:N-{2-chloro-5-[4-(morpholin-4-yl)quinolin-6-yl]pyridin-3-yl}-4-fluorobenzenesulfonamide
GDN
GDN
Name:GLUTATHIONE S-(2,4 DINITROBENZENE)
Formula:C16 H19 N5 O10 S
SMILES:O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
InChi:InChI=1S/C16H19N5O10S/c17-9(16(26)27)2-4-13(22)19-10(15(25)18-6-14(23)24)7-32-12-3-1-8(20(28)29)5-11(12)21(30)31/h1,3,5,9-10H,2,4,6-7,17H2,(H,18,25)(H,19,22)(H,23,24)(H,26,27)/t9-,10-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:L-gamma-glutamyl-S-(2,4-dinitrophenyl)-L-cysteinylglycine
GP6
GP6
Name:1-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREA
Formula:C14 H13 Cl N4 O
SMILES:Clc2ccc(NC(=O)Nc1ccc(C(=[N@H])N)cc1)cc2
InChi:InChI=1S/C14H13ClN4O/c15-10-3-7-12(8-4-10)19-14(20)18-11-5-1-9(2-6-11)13(16)17/h1-8H,(H3,16,17)(H2,18,19,20)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:4-{[(4-chlorophenyl)carbamoyl]amino}benzenecarboximidamide
GP8
GP8
Name:1-(2-AMIDINOPHENYL)-3-(PHENOXYPHENYL)UREA
Formula:C20 H18 N4 O2
SMILES:O=C(Nc1ccc(C(=[N@H])N)cc1)Nc3ccc(Oc2ccccc2)cc3
InChi:InChI=1S/C20H18N4O2/c21-19(22)14-6-8-15(9-7-14)23-20(25)24-16-10-12-18(13-11-16)26-17-4-2-1-3-5-17/h1-13H,(H3,21,22)(H2,23,24,25)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:4-{[(4-phenoxyphenyl)carbamoyl]amino}benzenecarboximidamide
GVF
GVF
Name:BENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)]
Formula:C6 H10 O16 P4
SMILES:O=P(Oc1c(OP(=O)(O)O)ccc(OP(=O)(O)O)c1OP(=O)(O)O)(O)O
InChi:InChI=1S/C6H10O16P4/c7-23(8,9)19-3-1-2-4(20-24(10,11)12)6(22-26(16,17)18)5(3)21-25(13,14)15/h1-2H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)
Definition date:2007-03-12
Last modified:2011-06-04
Identifier:benzene-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)]
GZC
GZC
Name:N,N'''-{ethane-1,2-diylbis[nitrilo(E)methylylidene(4-hydroxybenzene-3,1-diyl)]}diguanidine
Formula:C18 H22 N8 O2
SMILES:NC(=N)Nc1ccc(O)c(C=NCCN=Cc2cc(NC(N)=N)ccc2O)c1
InChi:InChI=1S/C18H22N8O2/c19-17(20)25-13-1-3-15(27)11(7-13)9-23-5-6-24-10-12-8-14(26-18(21)22)2-4-16(12)28/h1-4,7-10,27-28H,5-6H2,(H4,19,20,25)(H4,21,22,26)/b23-9+,24-10+
Definition date:2009-12-03
Last modified:2011-06-04
Identifier:1-[3-[(E)-2-[(E)-(5-carbamimidamido-2-hydroxy-phenyl)methylideneamino]ethyliminomethyl]-4-hydroxy-phenyl]guanidine
H06
H06
Name:(E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide
Formula:C14 H13 N5 O
SMILES:O=C(NN=Cc1ccc(C(=[N@H])N)cc1)c2cccnc2
InChi:InChI=1S/C14H13N5O/c15-13(16)11-5-3-10(4-6-11)8-18-19-14(20)12-2-1-7-17-9-12/h1-9H,(H3,15,16)(H,19,20)/b18-8+
Definition date:2009-10-13
Last modified:2011-06-04
Identifier:4-{(E)-[2-(pyridin-3-ylcarbonyl)hydrazinylidene]methyl}benzenecarboximidamide
4BH
4BH
Name:4-CHLORO-6-(4-PIPERAZIN-1-YL-1H-PYRAZOL-5-YL)BENZENE-1,3-DIOL
Formula:C13 H15 Cl N4 O2
SMILES:Clc1cc(c(O)cc1O)c2c(cnn2)N3CCNCC3
InChi:InChI=1S/C13H15ClN4O2/c14-9-5-8(11(19)6-12(9)20)13-10(7-16-17-13)18-3-1-15-2-4-18/h5-7,15,19-20H,1-4H2,(H,16,17)
Definition date:2006-01-18
Last modified:2011-06-04
Identifier:4-chloro-6-(4-piperazin-1-yl-1H-pyrazol-5-yl)benzene-1,3-diol
4BZ
4BZ
Name:4-(HYDROXYMETHYL)BENZAMIDINE
Formula:C8 H10 N2 O
SMILES:OCc1ccc(C(=[N@H])N)cc1
InChi:InChI=1S/C8H10N2O/c9-8(10)7-3-1-6(5-11)2-4-7/h1-4,11H,5H2,(H3,9,10)
Definition date:2004-01-26
Last modified:2011-06-04
Identifier:4-(hydroxymethyl)benzenecarboximidamide
4CD
4CD
Name:4-chloro-6-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol
Formula:C18 H18 Cl N O3
SMILES:O=C(c1cc(Cl)c(O)cc1O)N3C(c2c(cccc2)C)CCC3
InChi:InChI=1S/C18H18ClNO3/c1-11-5-2-3-6-12(11)15-7-4-8-20(15)18(23)13-9-14(19)17(22)10-16(13)21/h2-3,5-6,9-10,15,21-22H,4,7-8H2,1H3/t15-/m1/s1
Definition date:2009-10-22
Last modified:2011-06-04
Identifier:(5-chloro-2,4-dihydroxyphenyl)[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
4CL
4CL
Name:4-CHLOROBENZENE-1,2-DIOL
Formula:C6 H5 Cl O2
SMILES:Clc1cc(O)c(O)cc1
InChi:InChI=1S/C6H5ClO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H
Definition date:2007-06-18
Last modified:2011-06-04
Identifier:4-chlorobenzene-1,2-diol
4EB
4EB
Name:4-({2-[(2,4-DIMETHYLPHENYL)SULFANYL]ETHYL}AMINO)-N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITROBENZENESULFONAMIDE
Formula:C29 H26 F N3 O5 S2
SMILES:Fc1ccc(cc1)c2ccc(cc2)C(=O)NS(=O)(=O)c3ccc(c([N+]([O-])=O)c3)NCCSc4ccc(cc4C)C
InChi:InChI=1S/C29H26FN3O5S2/c1-19-3-14-28(20(2)17-19)39-16-15-31-26-13-12-25(18-27(26)33(35)36)40(37,38)32-29(34)23-6-4-21(5-7-23)22-8-10-24(30)11-9-22/h3-14,17-18,31H,15-16H2,1-2H3,(H,32,34)
Definition date:2005-03-09
Last modified:2011-06-04
Identifier:N-{[4-({2-[(2,4-dimethylphenyl)sulfanyl]ethyl}amino)-3-nitrophenyl]sulfonyl}-4'-fluorobiphenyl-4-carboxamide
4MD
4MD
Name:N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide
Formula:C14 H15 Cl N2 O4 S2
SMILES:Clc1ccc(cc1)CN(C)S(=O)(=O)c2ccc(cc2)S(=O)(=O)N
InChi:InChI=1S/C14H15ClN2O4S2/c1-17(10-11-2-4-12(15)5-3-11)23(20,21)14-8-6-13(7-9-14)22(16,18)19/h2-9H,10H2,1H3,(H2,16,18,19)
Definition date:2008-06-03
Last modified:2011-06-04
Identifier:N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide

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