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4FV
4FV
表記:4-amino-N-[(1R,3S)-3-hydroxycyclopentyl]-1,2,5-oxadiazole-3-carboxamide
組成式:C8 H12 N4 O3
SMILES:c1(c(non1)N)C(=O)NC2CCC(C2)O
InChi:InChI=1S/C8H12N4O3/c9-7-6(11-15-12-7)8(14)10-4-1-2-5(13)3-4/h4-5,13H,1-3H2,(H2,9,12)(H,10,14)/t4-,5+/m1/s1
定義日:2015-03-17
最終更新日:2016-03-11
公開日:2016-03-16
識別子(ID):4-amino-N-[(1R,3S)-3-hydroxycyclopentyl]-1,2,5-oxadiazole-3-carboxamide
4FX
4FX
表記:6-[(2-methoxybenzyl)amino]pyridine-3-carboxamide
組成式:C14 H15 N3 O2
SMILES:c2cc(CNc1ccc(cn1)C(=O)N)c(cc2)OC
InChi:InChI=1S/C14H15N3O2/c1-19-12-5-3-2-4-10(12)8-16-13-7-6-11(9-17-13)14(15)18/h2-7,9H,8H2,1H3,(H2,15,18)(H,16,17)
定義日:2015-03-17
最終更新日:2016-03-11
公開日:2016-03-16
識別子(ID):6-[(2-methoxybenzyl)amino]pyridine-3-carboxamide
4G0
4G0
表記:6-{[3-(dimethylamino)benzyl]amino}pyridine-3-carboxamide
組成式:C15 H18 N4 O
SMILES:c1cc(cc(c1)N(C)C)CNc2ccc(cn2)C(=O)N
InChi:InChI=1S/C15H18N4O/c1-19(2)13-5-3-4-11(8-13)9-17-14-7-6-12(10-18-14)15(16)20/h3-8,10H,9H2,1-2H3,(H2,16,20)(H,17,18)
定義日:2015-03-17
最終更新日:2016-03-11
公開日:2016-03-16
識別子(ID):6-{[3-(dimethylamino)benzyl]amino}pyridine-3-carboxamide
4G1
4G1
表記:N-(1-{[(3-methylbenzoyl)amino]methyl}cyclopentyl)-2,1-benzoxazole-4-carboxamide
組成式:C22 H23 N3 O3
SMILES:c1cc(cc(c1)C)C(=O)NCC2(CCCC2)NC(c4cccc3c4con3)=O
InChi:InChI=1S/C22H23N3O3/c1-15-6-4-7-16(12-15)20(26)23-14-22(10-2-3-11-22)24-21(27)17-8-5-9-19-18(17)13-28-25-19/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,23,26)(H,24,27)
定義日:2015-03-17
最終更新日:2016-03-11
公開日:2016-03-16
識別子(ID):N-(1-{[(3-methylbenzoyl)amino]methyl}cyclopentyl)-2,1-benzoxazole-4-carboxamide
4G3
4G3
表記:6-[(3-hydroxybenzyl)amino]pyridine-3-carboxamide
組成式:C13 H13 N3 O2
SMILES:c1cc(cc(c1)O)CNc2ccc(cn2)C(=O)N
InChi:InChI=1S/C13H13N3O2/c14-13(18)10-4-5-12(16-8-10)15-7-9-2-1-3-11(17)6-9/h1-6,8,17H,7H2,(H2,14,18)(H,15,16)
定義日:2015-03-17
最終更新日:2016-03-11
公開日:2016-03-16
識別子(ID):6-[(3-hydroxybenzyl)amino]pyridine-3-carboxamide
4G4
4G4
表記:6-{[2-(dimethylamino)benzyl]amino}pyridine-3-carboxamide
組成式:C15 H18 N4 O
SMILES:c2cc(CNc1ccc(cn1)C(=O)N)c(cc2)N(C)C
InChi:InChI=1S/C15H18N4O/c1-19(2)13-6-4-3-5-11(13)9-17-14-8-7-12(10-18-14)15(16)20/h3-8,10H,9H2,1-2H3,(H2,16,20)(H,17,18)
定義日:2015-03-17
最終更新日:2016-03-11
公開日:2016-03-16
識別子(ID):6-{[2-(dimethylamino)benzyl]amino}pyridine-3-carboxamide
4GM
4GM
表記:6-[(2-hydroxybenzyl)amino]pyridine-3-carboxamide
組成式:C13 H13 N3 O2
SMILES:c2cc(CNc1ccc(cn1)C(=O)N)c(cc2)O
InChi:InChI=1S/C13H13N3O2/c14-13(18)10-5-6-12(16-8-10)15-7-9-3-1-2-4-11(9)17/h1-6,8,17H,7H2,(H2,14,18)(H,15,16)
定義日:2015-03-17
最終更新日:2016-03-11
公開日:2016-03-16
識別子(ID):6-[(2-hydroxybenzyl)amino]pyridine-3-carboxamide
4GN
4GN
表記:6-[(cyclopentylmethyl)amino]pyridine-3-carboxamide
組成式:C12 H17 N3 O
SMILES:c1c(cnc(c1)NCC2CCCC2)C(N)=O
InChi:InChI=1S/C12H17N3O/c13-12(16)10-5-6-11(15-8-10)14-7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2,(H2,13,16)(H,14,15)
定義日:2015-03-17
最終更新日:2016-03-11
公開日:2016-03-16
識別子(ID):6-[(cyclopentylmethyl)amino]pyridine-3-carboxamide
4GO
4GO
表記:6-(cyclopentylamino)pyridine-3-carboxamide
組成式:C11 H15 N3 O
SMILES:c1c(cnc(c1)NC2CCCC2)C(=O)N
InChi:InChI=1S/C11H15N3O/c12-11(15)8-5-6-10(13-7-8)14-9-3-1-2-4-9/h5-7,9H,1-4H2,(H2,12,15)(H,13,14)
定義日:2015-03-17
最終更新日:2016-03-11
公開日:2016-03-16
識別子(ID):6-(cyclopentylamino)pyridine-3-carboxamide
4GS
4GS
表記:4-amino-N-(piperidin-4-yl)-1,2,5-oxadiazole-3-carboxamide
組成式:C8 H13 N5 O2
SMILES:c1(c(non1)N)C(=O)NC2CCNCC2
InChi:InChI=1S/C8H13N5O2/c9-7-6(12-15-13-7)8(14)11-5-1-3-10-4-2-5/h5,10H,1-4H2,(H2,9,13)(H,11,14)
定義日:2015-03-18
最終更新日:2016-03-11
公開日:2016-03-16
識別子(ID):4-amino-N-(piperidin-4-yl)-1,2,5-oxadiazole-3-carboxamide
4GT
4GT
表記:4-amino-2-(cyclopentylamino)pyrimidine-5-carboxamide
組成式:C10 H15 N5 O
SMILES:c1c(C(N)=O)c(nc(n1)NC2CCCC2)N
InChi:InChI=1S/C10H15N5O/c11-8-7(9(12)16)5-13-10(15-8)14-6-3-1-2-4-6/h5-6H,1-4H2,(H2,12,16)(H3,11,13,14,15)
定義日:2015-03-18
最終更新日:2016-03-11
公開日:2016-03-16
識別子(ID):4-amino-2-(cyclopentylamino)pyrimidine-5-carboxamide
4GX
4GX
表記:(4-amino-1,2,5-oxadiazol-3-yl)[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
組成式:C13 H16 N6 O2
SMILES:n3c(c(C(N1CCN(CC1)Cc2ccccn2)=O)no3)N
InChi:InChI=1S/C13H16N6O2/c14-12-11(16-21-17-12)13(20)19-7-5-18(6-8-19)9-10-3-1-2-4-15-10/h1-4H,5-9H2,(H2,14,17)
定義日:2015-03-18
最終更新日:2016-03-11
公開日:2016-03-16
識別子(ID):(4-amino-1,2,5-oxadiazol-3-yl)[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
4GY
4GY
表記:4-amino-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide
組成式:C10 H16 N4 O2
SMILES:Nc1nonc1C(=O)NCC2CCCCC2
InChi:InChI=1S/C10H16N4O2/c11-9-8(13-16-14-9)10(15)12-6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,11,14)(H,12,15)
定義日:2015-03-18
最終更新日:2016-03-11
公開日:2016-03-16
識別子(ID):4-amino-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide
4H1
4H1
表記:6-({[(1R,3S)-3-(aminomethyl)cyclohexyl]methyl}amino)pyridine-3-carboxamide
組成式:C14 H22 N4 O
SMILES:c1c(cnc(c1)NCC2CCCC(C2)CN)C(N)=O
InChi:InChI=1S/C14H22N4O/c15-7-10-2-1-3-11(6-10)8-17-13-5-4-12(9-18-13)14(16)19/h4-5,9-11H,1-3,6-8,15H2,(H2,16,19)(H,17,18)/t10-,11+/m0/s1
定義日:2015-03-18
最終更新日:2016-03-11
公開日:2016-03-16
識別子(ID):6-({[(1R,3S)-3-(aminomethyl)cyclohexyl]methyl}amino)pyridine-3-carboxamide
4H3
4H3
表記:6-{[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyridine-3-carboxamide
組成式:C12 H17 N3 O3
SMILES:c1c(cnc(c1)NC2CC(C(C2)O)CO)C(N)=O
InChi:InChI=1S/C12H17N3O3/c13-12(18)7-1-2-11(14-5-7)15-9-3-8(6-16)10(17)4-9/h1-2,5,8-10,16-17H,3-4,6H2,(H2,13,18)(H,14,15)/t8-,9-,10+/m1/s1
定義日:2015-03-18
最終更新日:2016-03-11
公開日:2016-03-16
識別子(ID):6-{[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyridine-3-carboxamide
4H4
4H4
表記:4-amino-N-[(1S,2R)-2-(4-sulfamoylphenyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide
組成式:C12 H13 N5 O4 S
SMILES:c1c(ccc(c1)S(N)(=O)=O)C2CC2NC(c3c(N)non3)=O
InChi:InChI=1S/C12H13N5O4S/c13-11-10(16-21-17-11)12(18)15-9-5-8(9)6-1-3-7(4-2-6)22(14,19)20/h1-4,8-9H,5H2,(H2,13,17)(H,15,18)(H2,14,19,20)/t8-,9+/m1/s1
定義日:2015-03-18
最終更新日:2016-03-11
公開日:2016-03-16
識別子(ID):4-amino-N-[(1S,2R)-2-(4-sulfamoylphenyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide
4H6
4H6
表記:6-{[2-(morpholin-4-yl)benzyl]amino}pyridine-3-carboxamide
組成式:C17 H20 N4 O2
SMILES:c2cc(CNc1ccc(cn1)C(N)=O)c(cc2)N3CCOCC3
InChi:InChI=1S/C17H20N4O2/c18-17(22)14-5-6-16(20-12-14)19-11-13-3-1-2-4-15(13)21-7-9-23-10-8-21/h1-6,12H,7-11H2,(H2,18,22)(H,19,20)
定義日:2015-03-19
最終更新日:2016-03-11
公開日:2016-03-16
識別子(ID):6-{[2-(morpholin-4-yl)benzyl]amino}pyridine-3-carboxamide
4H7
4H7
表記:6-{[2-(4-methylpiperazin-1-yl)benzyl]amino}pyridine-3-carboxamide
組成式:C18 H23 N5 O
SMILES:c2cc(CNc1ccc(cn1)C(=O)N)c(cc2)N3CCN(CC3)C
InChi:InChI=1S/C18H23N5O/c1-22-8-10-23(11-9-22)16-5-3-2-4-14(16)12-20-17-7-6-15(13-21-17)18(19)24/h2-7,13H,8-12H2,1H3,(H2,19,24)(H,20,21)
定義日:2015-03-19
最終更新日:2016-03-11
公開日:2016-03-16
識別子(ID):6-{[2-(4-methylpiperazin-1-yl)benzyl]amino}pyridine-3-carboxamide
4H8
4H8
表記:4-amino-2-[(2,2-dimethylpropyl)amino]pyrimidine-5-carboxamide
組成式:C10 H17 N5 O
SMILES:CC(CNc1ncc(C(N)=O)c(n1)N)(C)C
InChi:InChI=1S/C10H17N5O/c1-10(2,3)5-14-9-13-4-6(8(12)16)7(11)15-9/h4H,5H2,1-3H3,(H2,12,16)(H3,11,13,14,15)
定義日:2015-03-19
最終更新日:2016-03-11
公開日:2016-03-16
識別子(ID):4-amino-2-[(2,2-dimethylpropyl)amino]pyrimidine-5-carboxamide
4H9
4H9
表記:(5-amino-1H-1,2,4-triazol-1-yl)(4-methoxyphenyl)methanone
組成式:C10 H10 N4 O2
SMILES:c2cc(C(n1ncnc1N)=O)ccc2OC
InChi:InChI=1S/C10H10N4O2/c1-16-8-4-2-7(3-5-8)9(15)14-10(11)12-6-13-14/h2-6H,1H3,(H2,11,12,13)
定義日:2015-03-19
最終更新日:2016-03-11
公開日:2016-03-16
識別子(ID):(5-amino-1H-1,2,4-triazol-1-yl)(4-methoxyphenyl)methanone
4HQ
4HQ
表記:(4-amino-1,2,5-oxadiazol-3-yl)(4-methylpiperazin-1-yl)methanone
組成式:C8 H13 N5 O2
SMILES:N2(C(c1c(non1)N)=O)CCN(CC2)C
InChi:InChI=1S/C8H13N5O2/c1-12-2-4-13(5-3-12)8(14)6-7(9)11-15-10-6/h2-5H2,1H3,(H2,9,11)
定義日:2015-03-19
最終更新日:2016-03-11
公開日:2016-03-16
識別子(ID):(4-amino-1,2,5-oxadiazol-3-yl)(4-methylpiperazin-1-yl)methanone
ICB
ICB
表記:1H-indole-2-carboxylic acid
組成式:C9 H7 N O2
SMILES:O=C(O)c2cc1ccccc1n2
InChi:InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
定義日:2014-05-21
最終更新日:2016-03-11
公開日:2016-03-16
識別子(ID):1H-indole-2-carboxylic acid
VNY
VNY
表記:PARA-BIPHENYL METHYLENE C-LINKED MANNOSIDE
組成式:C21 H24 O5
SMILES:CC(=C[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)c2ccc(cc2)c3ccccc3
InChi:InChI=1S/C21H24O5/c1-13(11-17-19(23)21(25)20(24)18(12-22)26-17)14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-11,17-25H,12H2,1H3/b13-11+/t17-,18-,19-,20-,21-/m1/s1
定義日:2015-07-27
最終更新日:2016-03-04
公開日:2016-03-09
識別子(ID):(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(E)-2-(4-phenylphenyl)prop-1-enyl]oxane-3,4,5-triol
UV4
UV4
表記:3-(benzoylamino)-N-oxobenzamide
組成式:C14 H10 N2 O3
SMILES:c1ccc(C(=O)N=O)cc1NC(=O)c2ccccc2
InChi:InChI=1S/C14H10N2O3/c17-13(10-5-2-1-3-6-10)15-12-8-4-7-11(9-12)14(18)16-19/h1-9H,(H,15,17)
定義日:2016-01-26
最終更新日:2016-03-04
公開日:2016-03-09
識別子(ID):3-(benzoylamino)-N-oxobenzamide
Z47
Z47
表記:(2R,3S,4R,5S,6R)-2-(HYDROXYMETHYL)-6-[3-(NAPHTHALEN-1-YL)PROPYL]OXANE-3,4,5-TRIOL
組成式:C19 H24 O5
SMILES:OC[CH]1O[CH](CCCc2cccc3ccccc23)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C19H24O5/c20-11-16-18(22)19(23)17(21)15(24-16)10-4-8-13-7-3-6-12-5-1-2-9-14(12)13/h1-3,5-7,9,15-23H,4,8,10-11H2/t15-,16+,17+,18-,19+/m0/s1
定義日:2015-08-10
最終更新日:2016-03-04
公開日:2016-03-09
識別子(ID):(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-(3-naphthalen-1-ylpropyl)oxane-3,4,5-triol

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