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TH0
TH0
Name:4-MERCAPTOBENZENE-1,3-DIOL
Formula:C6 H6 O2 S
SMILES:Oc1ccc(S)c(O)c1
InChi:InChI=1S/C6H6O2S/c7-4-1-2-6(9)5(8)3-4/h1-3,7-9H
Definition date:2007-02-28
Last modified:2011-06-04
Identifier:4-sulfanylbenzene-1,3-diol
MY9
MY9
Name:N-{(1S,2S)-1-BENZYL-2-HYDROXY-2-[(4S)-1,2,2-TRIMETHYL-5-OXOIMIDAZOLIDIN-4-YL]ETHYL}-N'-[(1R)-1-(4-FLUOROPHENYL)ETHYL]-5-[METHYL(METHYLSULFONYL)AMINO]ISOPHTHALAMIDE
Formula:C33 H40 F N5 O6 S
SMILES:O=C1N(C)C(NC1C(O)C(NC(=O)c3cc(N(C)S(=O)(=O)C)cc(C(=O)NC(c2ccc(F)cc2)C)c3)Cc4ccccc4)(C)C
InChi:InChI=1S/C33H40FN5O6S/c1-20(22-12-14-25(34)15-13-22)35-30(41)23-17-24(19-26(18-23)39(5)46(6,44)45)31(42)36-27(16-21-10-8-7-9-11-21)29(40)28-32(43)38(4)33(2,3)37-28/h7-15,17-20,27-29,37,40H,16H2,1-6H3,(H,35,41)(H,36,42)/t20-,27+,28+,29+/m1/s1
Definition date:2007-03-28
Last modified:2011-06-04
Identifier:N-{(1S,2S)-1-benzyl-2-hydroxy-2-[(4S)-1,2,2-trimethyl-5-oxoimidazolidin-4-yl]ethyl}-N'-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide
PET
PET
Name:1,5-DI(4-AMIDINOPHENOXY)-3-OXA-PENTANE
Formula:C18 H22 N4 O3
SMILES:O(c1ccc(cc1)C(=[N@H])N)CCOCCOc2ccc(C(=[N@H])N)cc2
InChi:InChI=1S/C18H22N4O3/c19-17(20)13-1-5-15(6-2-13)24-11-9-23-10-12-25-16-7-3-14(4-8-16)18(21)22/h1-8H,9-12H2,(H3,19,20)(H3,21,22)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:4,4'-[oxybis(ethane-2,1-diyloxy)]dibenzenecarboximidamide
KIB
KIB
Name:2,6-dimethoxybenzene-1,4-diol
Formula:C8 H10 O4
SMILES:O(c1cc(O)cc(OC)c1O)C
InChi:InChI=1S/C8H10O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4,9-10H,1-2H3
Definition date:2009-01-19
Last modified:2011-06-04
Identifier:2,6-dimethoxybenzene-1,4-diol
MYP
MYP
Name:4-MORPHOLIN-4-YL-PIPERIDINE-1-CARBOXYLIC ACID [1-(3-BENZENESULFONYL-1-PROPYL-ALLYLCARBAMOYL)-2-PHENYLETHYL]-AMIDE
Formula:C31 H42 N4 O5 S
SMILES:O=S(=O)(c1ccccc1)/C=C/C(NC(=O)C(NC(=O)N3CCC(N2CCOCC2)CC3)Cc4ccccc4)CCC
InChi:InChI=1S/C31H42N4O5S/c1-2-9-26(16-23-41(38,39)28-12-7-4-8-13-28)32-30(36)29(24-25-10-5-3-6-11-25)33-31(37)35-17-14-27(15-18-35)34-19-21-40-22-20-34/h3-8,10-13,16,23,26-27,29H,2,9,14-15,17-22,24H2,1H3,(H,32,36)(H,33,37)/t26-,29-/m0/s1
Definition date:2002-10-07
Last modified:2011-06-04
Identifier:Nalpha-[(4-morpholin-4-ylpiperidin-1-yl)carbonyl]-N-{(1S)-1-[(E)-2-(phenylsulfonyl)ethenyl]butyl}-L-phenylalaninamide
SAN
SAN
Name:SULFANILAMIDE
Formula:C6 H8 N2 O2 S
SMILES:O=S(=O)(c1ccc(N)cc1)N
InChi:InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:4-aminobenzenesulfonamide
KJ2
KJ2
Name:4-{4-[4-(3-AMINOPROPOXY)PHENYL]-1H-PYRAZOL-5-YL}-6-CHLOROBENZENE-1,3-DIOL
Formula:C18 H18 Cl N3 O3
SMILES:Clc3c(O)cc(O)c(c1c(cnn1)c2ccc(OCCCN)cc2)c3
InChi:InChI=1S/C18H18ClN3O3/c19-15-8-13(16(23)9-17(15)24)18-14(10-21-22-18)11-2-4-12(5-3-11)25-7-1-6-20/h2-5,8-10,23-24H,1,6-7,20H2,(H,21,22)
Definition date:2005-05-04
Last modified:2011-06-04
Identifier:4-{4-[4-(3-aminopropoxy)phenyl]-1H-pyrazol-5-yl}-6-chlorobenzene-1,3-diol
SC4
SC4
Name:1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-BENZENE
Formula:C21 H17 Cl3 O3
SMILES:Clc3cccc(Cl)c3OCc1ccc(cc1)COc2ccc(OC)cc2Cl
InChi:InChI=1S/C21H17Cl3O3/c1-25-16-9-10-20(19(24)11-16)26-12-14-5-7-15(8-6-14)13-27-21-17(22)3-2-4-18(21)23/h2-11H,12-13H2,1H3
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:1,3-dichloro-2-({4-[(2-chloro-4-methoxyphenoxy)methyl]benzyl}oxy)benzene
SC7
SC7
Name:N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-[(2R,4S)-4-ETHOXYPIPERIDIN-2-YL]-2-HYDROXYETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
Formula:C31 H43 F2 N3 O4
SMILES:O=C(N(CCC)CCC)c1cc(cc(c1)C)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C3NCCC(OCC)C3
InChi:InChI=1S/C31H43F2N3O4/c1-5-10-36(11-6-2)31(39)23-13-20(4)12-22(17-23)30(38)35-28(16-21-14-24(32)18-25(33)15-21)29(37)27-19-26(40-7-3)8-9-34-27/h12-15,17-18,26-29,34,37H,5-11,16,19H2,1-4H3,(H,35,38)/t26-,27+,28-,29+/m0/s1
Definition date:2007-07-26
Last modified:2011-06-04
Identifier:N'-{(1S,2R)-1-(3,5-difluorobenzyl)-2-[(2R,4S)-4-ethoxypiperidin-2-yl]-2-hydroxyethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
RKA
RKA
Name:N,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-PHENYLENE)DIBENZENECARBOXIMIDAMIDE
Formula:C30 H25 N5
SMILES:[N@H]=C(c1ccccc1)Nc5ccc(c4ccc(c3ccc(NC(=[N@H])c2ccccc2)cc3)n4)cc5
InChi:InChI=1S/C30H25N5/c31-29(23-7-3-1-4-8-23)33-25-15-11-21(12-16-25)27-19-20-28(35-27)22-13-17-26(18-14-22)34-30(32)24-9-5-2-6-10-24/h1-20,35H,(H2,31,33)(H2,32,34)
Definition date:2006-05-11
Last modified:2011-06-04
Identifier:N,N'-(1H-pyrrole-2,5-diyldibenzene-4,1-diyl)dibenzenecarboximidamide
81A
81A
Name:2-METHANESULFONYL-BENZENESULFONIC ACID 3-METHYL-5-((1-AMIDINOAMINOOXYMETHYL-CYCLOPROPYL)METHYLOXY)-PHENYLESTER
Formula:C20 H25 N3 O7 S2
SMILES:O=S(=O)(c1ccccc1S(=O)(=O)Oc3cc(cc(OCC2(CONC(=[N@H])N)CC2)c3)C)C
InChi:InChI=1S/C20H25N3O7S2/c1-14-9-15(28-12-20(7-8-20)13-29-23-19(21)22)11-16(10-14)30-32(26,27)18-6-4-3-5-17(18)31(2,24)25/h3-6,9-11H,7-8,12-13H2,1-2H3,(H4,21,22,23)
Definition date:2005-02-02
Last modified:2011-06-04
Identifier:3-({1-[(carbamimidamidooxy)methyl]cyclopropyl}methoxy)-5-methylphenyl 2-(methylsulfonyl)benzenesulfonate
SDA
SDA
Name:4-AMINO-3,5-DICHLOROBENZENESULFONAMIDE
Formula:C6 H6 Cl2 N2 O2 S
SMILES:Clc1cc(cc(Cl)c1N)S(=O)(=O)N
InChi:InChI=1S/C6H6Cl2N2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)
Definition date:2005-09-13
Last modified:2011-06-04
Identifier:4-amino-3,5-dichlorobenzenesulfonamide
N25
N25
Name:1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-HEXAHYDRO-PYRIMIDINE-2-CARBOXYLIC ACID HYDROXYAMIDE
Formula:C21 H27 N3 O8 S2
SMILES:O=S(=O)(c1ccc(OC)cc1)N2C(N(CC(C)(C2)C)S(=O)(=O)c3ccc(OC)cc3)C(=O)NO
InChi:InChI=1S/C21H27N3O8S2/c1-21(2)13-23(33(27,28)17-9-5-15(31-3)6-10-17)20(19(25)22-26)24(14-21)34(29,30)18-11-7-16(32-4)8-12-18/h5-12,20,26H,13-14H2,1-4H3,(H,22,25)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:N-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethylhexahydropyrimidine-2-carboxamide
OSA
OSA
Name:7-amino-4-hydroxy-3-[(E)-(5-hydroxy-7-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid
Formula:C20 H15 N3 O8 S2
SMILES:O=S(=O)(O)c4cc3cc(/N=N/c2c(O)c1c(cc(cc1)N)cc2S(=O)(=O)O)ccc3c(O)c4
InChi:InChI=1S/C20H15N3O8S2/c21-12-1-3-16-10(5-12)8-18(33(29,30)31)19(20(16)25)23-22-13-2-4-15-11(6-13)7-14(9-17(15)24)32(26,27)28/h1-9,24-25H,21H2,(H,26,27,28)(H,29,30,31)/b23-22+
Definition date:2010-06-02
Last modified:2011-06-04
Identifier:7-amino-4-hydroxy-3-[(E)-(5-hydroxy-7-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid
KN0
KN0
Name:4-[1-benzyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol
Formula:C21 H15 F3 N2 O2
SMILES:FC(F)(F)c1cccc2c1n(nc2c3ccc(O)cc3O)Cc4ccccc4
InChi:InChI=1S/C21H15F3N2O2/c22-21(23,24)17-8-4-7-16-19(15-10-9-14(27)11-18(15)28)25-26(20(16)17)12-13-5-2-1-3-6-13/h1-11,27-28H,12H2
Definition date:2010-09-09
Last modified:2011-06-04
Identifier:4-[1-benzyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol
KN1
KN1
Name:4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol
Formula:C17 H13 F3 N2 O2
SMILES:FC(F)(F)c1cccc2c1n(nc2c3ccc(O)cc3O)CC=C
InChi:InChI=1S/C17H13F3N2O2/c1-2-8-22-16-12(4-3-5-13(16)17(18,19)20)15(21-22)11-7-6-10(23)9-14(11)24/h2-7,9,23-24H,1,8H2
Definition date:2007-09-24
Last modified:2011-06-04
Identifier:4-[1-prop-2-en-1-yl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol
KN2
KN2
Name:4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL
Formula:C13 H10 N2 O3
SMILES:n2c(c1ccc(O)cc1n2)c3ccc(O)cc3O
InChi:InChI=1S/C13H10N2O3/c16-7-1-3-9-11(5-7)14-15-13(9)10-4-2-8(17)6-12(10)18/h1-6,16-18H,(H,14,15)
Definition date:2007-06-27
Last modified:2011-06-04
Identifier:4-(6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
KN3
KN3
Name:4-[1-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol
Formula:C19 H17 F3 N2 O2
SMILES:FC(F)(F)c1cccc2c1n(nc2c3ccc(O)cc3O)C/C=C(/C)C
InChi:InChI=1S/C19H17F3N2O2/c1-11(2)8-9-24-18-14(4-3-5-15(18)19(20,21)22)17(23-24)13-7-6-12(25)10-16(13)26/h3-8,10,25-26H,9H2,1-2H3
Definition date:2010-09-09
Last modified:2011-06-04
Identifier:4-[1-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol
N3B
N3B
Name:N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITRO-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
Formula:C27 H22 F N3 O5 S2
SMILES:Fc1ccc(cc1)c2ccc(cc2)C(=O)NS(=O)(=O)c3ccc(c([N+]([O-])=O)c3)NCCSc4ccccc4
InChi:InChI=1S/C27H22FN3O5S2/c28-22-12-10-20(11-13-22)19-6-8-21(9-7-19)27(32)30-38(35,36)24-14-15-25(26(18-24)31(33)34)29-16-17-37-23-4-2-1-3-5-23/h1-15,18,29H,16-17H2,(H,30,32)
Definition date:2005-03-09
Last modified:2011-06-04
Identifier:4'-fluoro-N-[(3-nitro-4-{[2-(phenylsulfanyl)ethyl]amino}phenyl)sulfonyl]biphenyl-4-carboxamide
N4B
N4B
Name:N-BUTYLBENZENE
Formula:C10 H14
SMILES:c1ccccc1CCCC
InChi:InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:butylbenzene
SG1
SG1
Name:3-NITRO-4-(2-OXO-PYRROLIDIN-1-YL)-BENZENESULFONAMIDE
Formula:C10 H11 N3 O5 S
SMILES:O=S(=O)(c1cc(c(cc1)N2C(=O)CCC2)[N+]([O-])=O)N
InChi:InChI=1S/C10H11N3O5S/c11-19(17,18)7-3-4-8(9(6-7)13(15)16)12-5-1-2-10(12)14/h3-4,6H,1-2,5H2,(H2,11,17,18)
Definition date:2002-02-21
Last modified:2011-06-04
Identifier:3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
RN8
RN8
Name:3,3'-benzene-1,4-diylbis(4-cyano-5-ethylthiophene-2-carboxylic acid)
Formula:C22 H16 N2 O4 S2
SMILES:N#Cc1c(c(sc1CC)C(=O)O)c3ccc(c2c(C#N)c(sc2C(=O)O)CC)cc3
InChi:InChI=1S/C22H16N2O4S2/c1-3-15-13(9-23)17(19(29-15)21(25)26)11-5-7-12(8-6-11)18-14(10-24)16(4-2)30-20(18)22(27)28/h5-8H,3-4H2,1-2H3,(H,25,26)(H,27,28)
Definition date:2011-04-26
Last modified:2011-06-04
Identifier:3,3'-benzene-1,4-diylbis(4-cyano-5-ethylthiophene-2-carboxylic acid)
RNN
RNN
Name:N,N'-(benzene-1,4-diyldiethane-2,1-diyl)dipropane-2-sulfonamide
Formula:C16 H28 N2 O4 S2
SMILES:O=S(=O)(NCCc1ccc(cc1)CCNS(=O)(=O)C(C)C)C(C)C
InChi:InChI=1S/C16H28N2O4S2/c1-13(2)23(19,20)17-11-9-15-5-7-16(8-6-15)10-12-18-24(21,22)14(3)4/h5-8,13-14,17-18H,9-12H2,1-4H3
Definition date:2011-04-26
Last modified:2011-06-04
Identifier:N,N'-(benzene-1,4-diyldiethane-2,1-diyl)dipropane-2-sulfonamide
RO3
RO3
Name:N-{[(2Z)-5-BROMO-1,3-THIAZOL-2(3H)-YLIDENE]CARBAMOYL}-4-METHYLBENZENESULFONAMIDE
Formula:C11 H10 Br N3 O3 S2
SMILES:BrC=2S/C(=NC(=O)NS(=O)(=O)c1ccc(cc1)C)NC=2
InChi:InChI=1S/C11H10BrN3O3S2/c1-7-2-4-8(5-3-7)20(17,18)15-10(16)14-11-13-6-9(12)19-11/h2-6H,1H3,(H2,13,14,15,16)
Definition date:2009-02-26
Last modified:2011-06-04
Identifier:N-{[(2Z)-5-bromo-1,3-thiazol-2(3H)-ylidene]carbamoyl}-4-methylbenzenesulfonamide
RO5
RO5
Name:N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3-ethylbenzenesulfonamide
Formula:C12 H12 Br N3 O3 S2
SMILES:Brc1sc(nc1)NC(=O)NS(=O)(=O)c2cccc(c2)CC
InChi:InChI=1S/C12H12BrN3O3S2/c1-2-8-4-3-5-9(6-8)21(18,19)16-11(17)15-12-14-7-10(13)20-12/h3-7H,2H2,1H3,(H2,14,15,16,17)
Definition date:2009-02-26
Last modified:2011-06-04
Identifier:N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3-ethylbenzenesulfonamide

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數據於2024-08-07公開中

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