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SM9
SM9
Name:N-(2-ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(5R)-2-(quinazolin-4-yl)-2,7-diazaspiro[4.5]dec-7-yl]propyl}-2,6-dimethylbenzenesulfonamide
Formula:C31 H43 N5 O4 S
SMILES:O=S(=O)(c1c(cccc1C)C)N(CCOCC)CC(O)CN5CCCC4(CCN(c3ncnc2c3cccc2)C4)C5
InChi:InChI=1S/C31H43N5O4S/c1-4-40-18-17-36(41(38,39)29-24(2)9-7-10-25(29)3)20-26(37)19-34-15-8-13-31(21-34)14-16-35(22-31)30-27-11-5-6-12-28(27)32-23-33-30/h5-7,9-12,23,26,37H,4,8,13-22H2,1-3H3/t26-,31+/m0/s1
Definition date:2011-02-09
Last modified:2011-06-04
Identifier:N-(2-ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(5R)-2-(quinazolin-4-yl)-2,7-diazaspiro[4.5]dec-7-yl]propyl}-2,6-dimethylbenzenesulfonamide
SMH
SMH
Name:N-(2-ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(2R)-6-hydroxy-4-oxo-3,4-dihydro-1'H-spiro[chromene-2,3'-piperidin]-1'-yl]propyl}-2,6-dimethylbenzenesulfonamide
Formula:C28 H38 N2 O7 S
SMILES:O=S(=O)(c1c(cccc1C)C)N(CCOCC)CC(O)CN4CCCC3(Oc2c(cc(O)cc2)C(=O)C3)C4
InChi:InChI=1S/C28H38N2O7S/c1-4-36-14-13-30(38(34,35)27-20(2)7-5-8-21(27)3)18-23(32)17-29-12-6-11-28(19-29)16-25(33)24-15-22(31)9-10-26(24)37-28/h5,7-10,15,23,31-32H,4,6,11-14,16-19H2,1-3H3/t23-,28+/m0/s1
Definition date:2011-02-10
Last modified:2011-06-04
Identifier:N-(2-ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(2R)-6-hydroxy-4-oxo-3,4-dihydro-1'H-spiro[chromene-2,3'-piperidin]-1'-yl]propyl}-2,6-dimethylbenzenesulfonamide
BII
BII
Name:2-{[5-CHLORO-2-({(1E,4R)-2-METHOXY-4-[(3R)-3-(METHYLAMINO)PYRROLIDIN-1-YL]CYCLOHEXA-2,5-DIEN-1-YLIDENE}AMINO)PYRIMIDIN-4-YL]AMINO}-N-(1-METHYLETHYL)BENZENESULFONAMIDE
Formula:C25 H32 Cl N7 O3 S
SMILES:O=S(=O)(NC(C)C)c1ccccc1Nc2nc(ncc2Cl)/N=C3/C(OC)=CC(C=C3)N4CCC(NC)C4
InChi:InChI=1S/C25H32ClN7O3S/c1-16(2)32-37(34,35)23-8-6-5-7-21(23)29-24-19(26)14-28-25(31-24)30-20-10-9-18(13-22(20)36-4)33-12-11-17(15-33)27-3/h5-10,13-14,16-18,27,32H,11-12,15H2,1-4H3,(H,28,29,31)/b30-20+/t17-,18?/m1/s1
Definition date:2008-08-28
Last modified:2011-06-04
Identifier:2-{[5-chloro-2-({(1E,4R)-2-methoxy-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]cyclohexa-2,5-dien-1-ylidene}amino)pyrimidin-4-yl]amino}-N-(1-methylethyl)benzenesulfonamide
SML
SML
Name:PHENYL METHYL SULFONE
Formula:C7 H8 O2 S
SMILES:methyl phenyl sulfone
InChi:InChI=1S/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3
Definition date:1999-10-19
Last modified:2011-06-04
Identifier:(methylsulfonyl)benzene
SMR
SMR
Name:N-{(2S)-3-[(3S)-8',9'-dihydro-1H,3'H-spiro[piperidine-3,7'-pyrano[3,2-e]indazol]-1-yl]-2-hydroxypropyl}-N-(2-ethoxyethyl)-2,6-dimethylbenzenesulfonamide
Formula:C29 H40 N4 O5 S
SMILES:O=S(=O)(c1c(cccc1C)C)N(CCOCC)CC(O)CN5CCCC4(Oc3c(c2cnnc2cc3)CC4)C5
InChi:InChI=1S/C29H40N4O5S/c1-4-37-16-15-33(39(35,36)28-21(2)7-5-8-22(28)3)19-23(34)18-32-14-6-12-29(20-32)13-11-24-25-17-30-31-26(25)9-10-27(24)38-29/h5,7-10,17,23,34H,4,6,11-16,18-20H2,1-3H3,(H,30,31)/t23-,29+/m0/s1
Definition date:2011-02-10
Last modified:2011-06-04
Identifier:N-{(2S)-3-[(3S)-8',9'-dihydro-1H,3'H-spiro[piperidine-3,7'-pyrano[3,2-e]indazol]-1-yl]-2-hydroxypropyl}-N-(2-ethoxyethyl)-2,6-dimethylbenzenesulfonamide
SP0
SP0
Name:3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]BENZENESULFONAMIDE
Formula:C19 H13 F2 N3 O2 S2
SMILES:Fc1cccc(c1)S(=O)(=O)Nc3n(nc(c2sccc2)c3)c4ccc(F)cc4
InChi:InChI=1S/C19H13F2N3O2S2/c20-13-6-8-15(9-7-13)24-19(12-17(22-24)18-5-2-10-27-18)23-28(25,26)16-4-1-3-14(21)11-16/h1-12,23H
Definition date:2006-02-15
Last modified:2011-06-04
Identifier:3-fluoro-N-[1-(4-fluorophenyl)-3-thiophen-2-yl-1H-pyrazol-5-yl]benzenesulfonamide
SP3
SP3
Name:N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]-3,5-BIS(TRIFLUOROMETHYL)BENZENESULFONAMIDE
Formula:C21 H12 F7 N3 O2 S2
SMILES:FC(F)(F)c1cc(cc(c1)C(F)(F)F)S(=O)(=O)Nc3n(nc(c2sccc2)c3)c4ccc(F)cc4
InChi:InChI=1S/C21H12F7N3O2S2/c22-14-3-5-15(6-4-14)31-19(11-17(29-31)18-2-1-7-34-18)30-35(32,33)16-9-12(20(23,24)25)8-13(10-16)21(26,27)28/h1-11,30H
Definition date:2006-02-15
Last modified:2011-06-04
Identifier:N-[1-(4-fluorophenyl)-3-thiophen-2-yl-1H-pyrazol-5-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide
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
STL
STL
Name:RESVERATROL
Formula:C14 H12 O3
SMILES:Oc2cc(C=Cc1ccc(O)cc1)cc(O)c2
InChi:InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
T13
T13
Name:2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
Formula:C13 H7 F6 N O3 S
SMILES:Fc1cc(ccc1OC)NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F
InChi:InChI=1S/C13H7F6NO3S/c1-23-7-3-2-5(4-6(7)14)20-24(21,22)13-11(18)9(16)8(15)10(17)12(13)19/h2-4,20H,1H3
Definition date:2009-05-28
Last modified:2011-06-04
Identifier:2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
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
C5M
C5M
Name:N-{(2R,3S)-3-[(3-CHLOROBENZYL)AMINO]-2-HYDROXY-4-PHENYLBUTYL}-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE
Formula:C27 H33 Cl N2 O4 S
SMILES:Clc1cc(ccc1)CNC(Cc2ccccc2)C(O)CNS(=O)(=O)c3c(cc(OC)c(c3C)C)C
InChi:InChI=1S/C27H33ClN2O4S/c1-18-13-26(34-4)19(2)20(3)27(18)35(32,33)30-17-25(31)24(15-21-9-6-5-7-10-21)29-16-22-11-8-12-23(28)14-22/h5-14,24-25,29-31H,15-17H2,1-4H3/t24-,25+/m0/s1
Definition date:2005-12-08
Last modified:2011-06-04
Identifier:N-{(2R,3S)-3-[(3-chlorobenzyl)amino]-2-hydroxy-4-phenylbutyl}-4-methoxy-2,3,6-trimethylbenzenesulfonamide
C62
C62
Name:4-{5-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE
Formula:C14 H10 N2 O5 S2
SMILES:O=C1C(SC(=O)N1)=Cc3oc(c2ccc(cc2)S(=O)(=O)N)cc3
InChi:InChI=1S/C14H10N2O5S2/c15-23(19,20)10-4-1-8(2-5-10)11-6-3-9(21-11)7-12-13(17)16-14(18)22-12/h1-7H,(H2,15,19,20)(H,16,17,18)/b12-7-
Definition date:2007-04-30
Last modified:2011-06-04
Identifier:4-{5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzenesulfonamide
C75
C75
Name:4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-2-FURYL}-N-METHYLBENZENESULFONAMIDE
Formula:C15 H13 N3 O4 S2
SMILES:O=C1C(SC(=[N@H])N1)=Cc3oc(c2ccc(cc2)S(=O)(=O)NC)cc3
InChi:InChI=1S/C15H13N3O4S2/c1-17-24(20,21)11-5-2-9(3-6-11)12-7-4-10(22-12)8-13-14(19)18-15(16)23-13/h2-8,17H,1H3,(H2,16,18,19)/b13-8-
Definition date:2007-04-27
Last modified:2011-06-04
Identifier:4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-N-methylbenzenesulfonamide
TAB
TAB
Name:ACETIC ACID N-[2-CHLORO-5-[6-ETHYL-2,4-DIAMINO-PYRIMID-5-YL]-PHENYL]-[BENZYL-TRIAZEN-3-YL]ETHYL ESTER
Formula:C23 H26 Cl N7 O2
SMILES:Clc3ccc(c1c(nc(nc1CC)N)N)cc3/N=N/N(Cc2ccccc2)CCOC(=O)C
InChi:InChI=1S/C23H26ClN7O2/c1-3-19-21(22(25)28-23(26)27-19)17-9-10-18(24)20(13-17)29-30-31(11-12-33-15(2)32)14-16-7-5-4-6-8-16/h4-10,13H,3,11-12,14H2,1-2H3,(H4,25,26,27,28)/b30-29+
Definition date:1999-10-28
Last modified:2011-06-04
Identifier:2-{(2E)-1-benzyl-3-[2-chloro-5-(2,4-diamino-6-ethylpyrimidin-5-yl)phenyl]triaz-2-en-1-yl}ethyl acetate
C85
C85
Name:4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE
Formula:C14 H11 N3 O4 S2
SMILES:O=C1C(SC(=[N@H])N1)=Cc3oc(c2ccc(cc2)S(=O)(=O)N)cc3
InChi:InChI=1S/C14H11N3O4S2/c15-14-17-13(18)12(22-14)7-9-3-6-11(21-9)8-1-4-10(5-2-8)23(16,19)20/h1-7H,(H2,15,17,18)(H2,16,19,20)/b12-7-
Definition date:2007-04-27
Last modified:2011-06-04
Identifier:4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzenesulfonamide
C92
C92
Name:N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide
Formula:C21 H26 N4 O2
SMILES:O=C(NCCC1CCCC1)c3cc(C(=O)Nc2cnc(N)cc2)c(cc3)C
InChi:InChI=1S/C21H26N4O2/c1-14-6-7-16(20(26)23-11-10-15-4-2-3-5-15)12-18(14)21(27)25-17-8-9-19(22)24-13-17/h6-9,12-13,15H,2-5,10-11H2,1H3,(H2,22,24)(H,23,26)(H,25,27)
Definition date:2008-04-01
Last modified:2011-06-04
Identifier:N~3~-(6-aminopyridin-3-yl)-N~1~-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide
C94
C94
Name:4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}-2-(TRIFLUOROMETHYL)BENZENESULFONAMIDE
Formula:C15 H10 F3 N3 O4 S2
SMILES:O=C1C(SC(=[N@H])N1)=Cc3oc(c2ccc(c(c2)C(F)(F)F)S(=O)(=O)N)cc3
InChi:InChI=1S/C15H10F3N3O4S2/c16-15(17,18)9-5-7(1-4-12(9)27(20,23)24)10-3-2-8(25-10)6-11-13(22)21-14(19)26-11/h1-6H,(H2,19,21,22)(H2,20,23,24)/b11-6-
Definition date:2007-04-30
Last modified:2011-06-04
Identifier:4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
C96
C96
Name:4-{5-[(1Z)-1-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)ETHYL]-2-FURYL}BENZENESULFONAMIDE
Formula:C15 H13 N3 O4 S2
SMILES:O=C1C(SC(=[N@H])N1)=C(c3oc(c2ccc(cc2)S(=O)(=O)N)cc3)C
InChi:InChI=1S/C15H13N3O4S2/c1-8(13-14(19)18-15(16)23-13)11-6-7-12(22-11)9-2-4-10(5-3-9)24(17,20)21/h2-7H,1H3,(H2,16,18,19)(H2,17,20,21)/b13-8-
Definition date:2007-04-30
Last modified:2011-06-04
Identifier:4-(5-{(1Z)-1-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]ethyl}furan-2-yl)benzenesulfonamide
TCD
TCD
Name:3,5-DICHLORO-2-{4-[(3,5-DICHLOROPYRIDIN-2-YL)OXY]PHENOXY}PYRIDINE
Formula:C16 H8 Cl4 N2 O2
SMILES:Clc3cc(Cl)cnc3Oc2ccc(Oc1ncc(Cl)cc1Cl)cc2
InChi:InChI=1S/C16H8Cl4N2O2/c17-9-5-13(19)15(21-7-9)23-11-1-2-12(4-3-11)24-16-14(20)6-10(18)8-22-16/h1-8H
Definition date:2004-10-27
Last modified:2011-06-04
Identifier:2,2'-[benzene-1,4-diylbis(oxy)]bis(3,5-dichloropyridine)
TCZ
TCZ
Name:1,3,5-TRICHLORO-BENZENE
Formula:C6 H3 Cl3
SMILES:Clc1cc(Cl)cc(Cl)c1
InChi:InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H
Definition date:2002-01-09
Last modified:2011-06-04
Identifier:1,3,5-trichlorobenzene
CBC
CBC
Name:N'-(5-CHLOROBENZOFURAN-2-CARBONYL)-2-(TRIFLUOROMETHYL)BENZENESULFONOHYDRAZIDE
Formula:C16 H10 Cl F3 N2 O4 S
SMILES:FC(F)(F)c1ccccc1S(=O)(=O)NNC(=O)c3oc2ccc(Cl)cc2c3
InChi:InChI=1S/C16H10ClF3N2O4S/c17-10-5-6-12-9(7-10)8-13(26-12)15(23)21-22-27(24,25)14-4-2-1-3-11(14)16(18,19)20/h1-8,22H,(H,21,23)
Definition date:2005-08-09
Last modified:2011-06-04
Identifier:5-chloro-N'-{[2-(trifluoromethyl)phenyl]sulfonyl}-1-benzofuran-2-carbohydrazide
CBP
CBP
Name:2-{4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYL]-TETRAHYDRO-PYRAN-4-YL}-N-HYDROXY-ACETAMIDE
Formula:C19 H20 Cl N O6 S
SMILES:O=S(=O)(c2ccc(Oc1ccc(Cl)cc1)cc2)C3(CC(=O)NO)CCOCC3
InChi:InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)19(13-18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
Definition date:1999-09-13
Last modified:2011-06-04
Identifier:2-(4-{[4-(4-chlorophenoxy)phenyl]sulfonyl}tetrahydro-2H-pyran-4-yl)-N-hydroxyacetamide
CDK
CDK
Name:4-[4-(3,4-DIMETHYL-2-OXO-2,3-DIHYDRO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-N-(2-METHOXY-ETHYL)-BENZENESULFONAMIDE
Formula:C18 H21 N5 O4 S2
SMILES:O=C3SC(c1nc(ncc1)Nc2ccc(cc2)S(=O)(=O)NCCOC)=C(N3C)C
InChi:InChI=1S/C18H21N5O4S2/c1-12-16(28-18(24)23(12)2)15-8-9-19-17(22-15)21-13-4-6-14(7-5-13)29(25,26)20-10-11-27-3/h4-9,20H,10-11H2,1-3H3,(H,19,21,22)
Definition date:2010-07-29
Last modified:2011-06-04
Identifier:4-{[4-(3,4-dimethyl-2-oxo-2,3-dihydro-1,3-thiazol-5-yl)pyrimidin-2-yl]amino}-N-(2-methoxyethyl)benzenesulfonamide

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