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EUH
EUH
表記:6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine
組成式:C8 H5 F3 N2 S2
SMILES:Nc1sc2cc(SC(F)(F)F)ccc2n1
InChi:InChI=1S/C8H5F3N2S2/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)
定義日:2018-04-19
最終更新日:2019-03-29
公開日:2019-04-03
識別子（ID）:6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine
EQ2
EQ2
表記:1-ethanoyl-9~{H}-pyrido[3,4-b]indole-3-carboxylic acid
組成式:C14 H10 N2 O3
SMILES:CC(=O)c1nc(cc2c1[nH]c3ccccc23)C(O)=O
InChi:InChI=1S/C14H10N2O3/c1-7(17)12-13-9(6-11(16-12)14(18)19)8-4-2-3-5-10(8)15-13/h2-6,15H,1H3,(H,18,19)
定義日:2018-04-07
最終更新日:2018-08-31
公開日:2018-09-05
識別子（ID）:1-ethanoyl-9~{H}-pyrido[3,4-b]indole-3-carboxylic acid
8JS
8JS
表記:4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide
組成式:C13 H12 F N3 O2 S2
SMILES:c1cc(ccc1NC(Nc2ccc(cc2)S(N)(=O)=O)=S)F
InChi:InChI=1S/C13H12FN3O2S2/c14-9-1-3-10(4-2-9)16-13(20)17-11-5-7-12(8-6-11)21(15,18)19/h1-8H,(H2,15,18,19)(H2,16,17,20)
定義日:2017-02-09
最終更新日:2017-10-06
公開日:2017-10-11
識別子（ID）:4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide
46L
46L
表記:6-(dimethylamino)pyridine-3-carboxylic acid
組成式:C8 H10 N2 O2
SMILES:O=C(O)c1cnc(N(C)C)cc1
InChi:InChI=1S/C8H10N2O2/c1-10(2)7-4-3-6(5-9-7)8(11)12/h3-5H,1-2H3,(H,11,12)
定義日:2015-02-11
最終更新日:2016-02-12
公開日:2016-02-17
識別子（ID）:6-(dimethylamino)pyridine-3-carboxylic acid
MPN
MPN
表記:PHOSPHORIC ACID MONO-(2-AMINO-4-OXO-5,6-DITHIOXO-1,5,6,7,8A,9,10,10A-OCTAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL) ESTER
組成式:C10 H12 N5 O6 P S2
SMILES:OP(=O)(O)OCC1C(=S)C(C2C(O1)NC3=C(N2)C(=O)N=C(N3)N)=S
InChi:InChI=1S/C10H12N5O6PS2/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19/h2-3,9,12H,1H2,(H2,17,18,19)(H4,11,13,14,15,16)/t2-,3+,9-/m1/s1
定義日:2001-08-17
最終更新日:2015-04-22
識別子（ID）:[(5aR,8R,9aR)-2-amino-4-oxo-6,7-dithioxo-1,5,5a,6,7,8,9a,10-octahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogen phosphate
Y22
Y22
表記:6-(trifluoromethyl)-3-{[4-(trifluoromethyl)benzyl]amino}quinoxaline-2-carboxylic acid
組成式:C18 H11 F6 N3 O2
SMILES:FC(F)(F)c1ccc(cc1)CNc2nc3cc(ccc3nc2C(=O)O)C(F)(F)F
InChi:InChI=1S/C18H11F6N3O2/c19-17(20,21)10-3-1-9(2-4-10)8-25-15-14(16(28)29)26-12-6-5-11(18(22,23)24)7-13(12)27-15/h1-7H,8H2,(H,25,27)(H,28,29)
定義日:2014-04-02
最終更新日:2014-12-05
公開日:2014-12-10
識別子（ID）:6-(trifluoromethyl)-3-{[4-(trifluoromethyl)benzyl]amino}quinoxaline-2-carboxylic acid
37X
37X
表記:Octyl Glucose Neopentyl Glycol
組成式:C27 H52 O12
SMILES:O(CC(CCCCCC)(CCCCCC)COC1OC(CO)C(O)C(O)C1O)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C27H52O12/c1-3-5-7-9-11-27(12-10-8-6-4-2,15-36-25-23(34)21(32)19(30)17(13-28)38-25)16-37-26-24(35)22(33)20(31)18(14-29)39-26/h17-26,28-35H,3-16H2,1-2H3/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26-/m0/s1
定義日:2014-07-02
最終更新日:2014-09-05
公開日:2014-08-06
識別子（ID）:2-[(beta-L-glucopyranosyloxy)methyl]-2-hexyloctyl beta-L-glucopyranoside
VO1
VO1
表記:3-(benzyloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine
組成式:C16 H15 N3 O S
SMILES:n2cccc(OCc1ccccc1)c2Nc3nc(cs3)C
InChi:InChI=1S/C16H15N3OS/c1-12-11-21-16(18-12)19-15-14(8-5-9-17-15)20-10-13-6-3-2-4-7-13/h2-9,11H,10H2,1H3,(H,17,18,19)
定義日:2013-09-10
最終更新日:2013-09-20
公開日:2013-09-25
識別子（ID）:3-(benzyloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine
E65
E65
表記:4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
組成式:C14 H15 N3 O3 S2
SMILES:O=S(=O)(N)c2ccc(C(=O)CSc1nc(cc(n1)C)C)cc2
InChi:InChI=1S/C14H15N3O3S2/c1-9-7-10(2)17-14(16-9)21-8-13(18)11-3-5-12(6-4-11)22(15,19)20/h3-7H,8H2,1-2H3,(H2,15,19,20)
定義日:2011-06-10
最終更新日:2012-04-06
識別子（ID）:4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
6TP
6TP
表記:4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-methylthieno[3,2-c]pyridine-7-carboxamide
組成式:C19 H22 N4 O3 S2
SMILES:O=S(=O)(NC(C)(C)C)c3ccc(c2sc1c(cnc(c1c2)N)C(=O)NC)cc3
InChi:InChI=1S/C19H22N4O3S2/c1-19(2,3)23-28(25,26)12-7-5-11(6-8-12)15-9-13-16(27-15)14(18(24)21-4)10-22-17(13)20/h5-10,23H,1-4H3,(H2,20,22)(H,21,24)
定義日:2011-09-09
最終更新日:2011-11-25
識別子（ID）:4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-methylthieno[3,2-c]pyridine-7-carboxamide
UN6
UN6
表記:(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-METHYL}-PHENYL)-SULFAMIC ACID
組成式:C16 H19 N3 O7 S2
SMILES:O=S(=O)(O)Nc1cc(ccc1)CNC(=O)CCc2cccc(NS(=O)(=O)O)c2
InChi:InChI=1S/C16H19N3O7S2/c20-16(8-7-12-3-1-5-14(9-12)18-27(21,22)23)17-11-13-4-2-6-15(10-13)19-28(24,25)26/h1-6,9-10,18-19H,7-8,11H2,(H,17,20)(H,21,22,23)(H,24,25,26)
定義日:2005-12-02
最終更新日:2011-06-04
識別子（ID）:[3-(3-oxo-3-{[3-(sulfoamino)benzyl]amino}propyl)phenyl]sulfamic acid
SC8
SC8
表記:5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
組成式:C18 H13 Cl2 N5
SMILES:Clc4cccc(c2nc1ccnn1c(c2)NCc3ccncc3)c4Cl
InChi:InChI=1S/C18H13Cl2N5/c19-14-3-1-2-13(18(14)20)15-10-17(25-16(24-15)6-9-23-25)22-11-12-4-7-21-8-5-12/h1-10,22H,11H2
定義日:2007-09-20
最終更新日:2011-06-04
識別子（ID）:5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SCF
SCF
表記:5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
組成式:C18 H14 F N5
SMILES:Fc4ccccc4c2nc1ccnn1c(c2)NCc3ccncc3
InChi:InChI=1S/C18H14FN5/c19-15-4-2-1-3-14(15)16-11-18(24-17(23-16)7-10-22-24)21-12-13-5-8-20-9-6-13/h1-11,21H,12H2
定義日:2007-09-20
最終更新日:2011-06-04
識別子（ID）:5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SXX
SXX
表記:SINAPINATE
組成式:C11 H12 O5
SMILES:O=C(O)C=Cc1cc(OC)c(O)c(OC)c1
InChi:InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+
定義日:2004-10-30
最終更新日:2011-06-04
識別子（ID）:(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid
096
096
表記:(2R)-2-{4-hydroxy-5-methoxy-2-[3-(4-methylpiperazin-1-yl)propyl]phenyl}-3-pyridin-3-yl-1,3-thiazolidin-4-one
組成式:C23 H30 N4 O3 S
SMILES:O=C2N(c1cnccc1)C(SC2)c3cc(OC)c(O)cc3CCCN4CCN(C)CC4
InChi:InChI=1S/C23H30N4O3S/c1-25-9-11-26(12-10-25)8-4-5-17-13-20(28)21(30-2)14-19(17)23-27(22(29)16-31-23)18-6-3-7-24-15-18/h3,6-7,13-15,23,28H,4-5,8-12,16H2,1-2H3/t23-/m1/s1
定義日:2009-08-31
最終更新日:2011-06-04
識別子（ID）:(2R)-2-{4-hydroxy-5-methoxy-2-[3-(4-methylpiperazin-1-yl)propyl]phenyl}-3-(pyridin-3-yl)-1,3-thiazolidin-4-one
4BZ
4BZ
表記:4-(HYDROXYMETHYL)BENZAMIDINE
組成式: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)
定義日:2004-01-26
最終更新日:2011-06-04
識別子（ID）:4-(hydroxymethyl)benzenecarboximidamide
IOS
IOS
表記:3-SULFOOXY-1H-INDOLE
組成式:C8 H7 N O4 S
SMILES:O=S(=O)(O)Oc2c1ccccc1nc2
InChi:InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12)
定義日:2005-07-26
最終更新日:2011-06-04
識別子（ID）:1H-indol-3-yl hydrogen sulfate
<12

 

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