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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
4KZ
4KZ
表記:N-[(1R)-1-(dihydroxyboranyl)-2-phenylethyl]-Nalpha-(pyrazin-2-ylcarbonyl)-L-phenylalaninamide
組成式:C22 H23 B N4 O4
SMILES:c3(C(=O)NC(C(=O)NC(Cc1ccccc1)B(O)O)Cc2ccccc2)cnccn3
InChi:InChI=1S/C22H23BN4O4/c28-21(27-20(23(30)31)14-17-9-5-2-6-10-17)18(13-16-7-3-1-4-8-16)26-22(29)19-15-24-11-12-25-19/h1-12,15,18,20,30-31H,13-14H2,(H,26,29)(H,27,28)/t18-,20-/m0/s1
定義日:2015-04-02
最終更新日:2016-03-11
公開日:2016-03-16
識別子（ID）:N-[(1R)-1-(dihydroxyboranyl)-2-phenylethyl]-Nalpha-(pyrazin-2-ylcarbonyl)-L-phenylalaninamide
5LO
5LO
表記:4-[(11S,15R)-4,4,7,7-Tetramethyl-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,8-trien-11-yl]benzoic acid
組成式:C26 H30 O3
SMILES:CC1(C)CCC(C)(C)c2cc3c(O[CH]4CCC[C]34c5ccc(cc5)C(O)=O)cc12
InChi:InChI=1S/C26H30O3/c1-24(2)12-13-25(3,4)19-15-21-20(14-18(19)24)26(11-5-6-22(26)29-21)17-9-7-16(8-10-17)23(27)28/h7-10,14-15,22H,5-6,11-13H2,1-4H3,(H,27,28)/t22-,26+/m1/s1
定義日:2015-10-20
最終更新日:2016-03-04
公開日:2016-03-09
NS8
NS8
表記:trans beta nitrostyrene
組成式:C8 H7 N O2
SMILES:[O-][N+]([C@H]=Cc1ccccc1)=O
InChi:InChI=1S/C8H7NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
定義日:2015-07-16
最終更新日:2016-03-04
公開日:2016-03-09
識別子（ID）:[(E)-2-nitroethenyl]benzene
5M6
5M6
表記:1-(4-chlorophenyl)-3-methyl-~{N}-[[(2~{R})-oxolan-2-yl]methyl]thieno[2,3-c]pyrazole-5-carboxamide
組成式:C18 H18 Cl N3 O2 S
SMILES:Cc1nn(c2ccc(Cl)cc2)c3sc(cc13)C(=O)NC[CH]4CCCO4
InChi:InChI=1S/C18H18ClN3O2S/c1-11-15-9-16(17(23)20-10-14-3-2-8-24-14)25-18(15)22(21-11)13-6-4-12(19)5-7-13/h4-7,9,14H,2-3,8,10H2,1H3,(H,20,23)/t14-/m1/s1
定義日:2015-10-22
最終更新日:2016-03-04
公開日:2016-03-09
識別子（ID）:1-(4-chlorophenyl)-3-methyl-~{N}-[[(2~{R})-oxolan-2-yl]methyl]thieno[2,3-c]pyrazole-5-carboxamide
5M7
5M7
表記:6-chloranyl-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid
組成式:C21 H19 Cl N2 O2
SMILES:OC(=O)c1c(nc2ccc(Cl)cc2c1c3ccccc3)N4CCCCC4
InChi:InChI=1S/C21H19ClN2O2/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21(25)26)20(23-17)24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,25,26)
定義日:2015-10-22
最終更新日:2016-03-04
公開日:2016-03-09
識別子（ID）:6-chloranyl-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid
5M8
5M8
表記:6-chloranyl-2-methyl-4-phenyl-quinoline-3-carboxylic acid
組成式:C17 H12 Cl N O2
SMILES:Cc1nc2ccc(Cl)cc2c(c3ccccc3)c1C(O)=O
InChi:InChI=1S/C17H12ClNO2/c1-10-15(17(20)21)16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-10/h2-9H,1H3,(H,20,21)
定義日:2015-10-22
最終更新日:2016-03-04
公開日:2016-03-09
識別子（ID）:6-chloranyl-2-methyl-4-phenyl-quinoline-3-carboxylic acid
5M9
5M9
表記:6-chloranyl-5,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
組成式:C17 H22 Cl N7
SMILES:Cn1nc(nc1CCc2nn3c(C)c(Cl)cc(C)c3n2)N4CCCC4
InChi:InChI=1S/C17H22ClN7/c1-11-10-13(18)12(2)25-16(11)19-14(21-25)6-7-15-20-17(22-23(15)3)24-8-4-5-9-24/h10H,4-9H2,1-3H3
定義日:2015-10-22
最終更新日:2016-03-04
公開日:2016-03-09
識別子（ID）:6-chloranyl-5,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
5MF
5MF
表記:8-ethyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
組成式:C17 H24 N8
SMILES:CCc1cnc(C)n2nc(CCc3nc(nn3C)N4CCCC4)nc12
InChi:InChI=1S/C17H24N8/c1-4-13-11-18-12(2)25-16(13)19-14(21-25)7-8-15-20-17(22-23(15)3)24-9-5-6-10-24/h11H,4-10H2,1-3H3
定義日:2015-10-22
最終更新日:2016-03-04
公開日:2016-03-09
識別子（ID）:8-ethyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
5MG
5MG
表記:3-(2-chloranyl-5-phenyl-1~{H}-imidazol-4-yl)-1-[3-(trifluoromethyloxy)phenyl]pyridazin-4-one
組成式:C20 H12 Cl F3 N4 O2
SMILES:FC(F)(F)Oc1cccc(c1)N2C=CC(=O)C(=N2)c3nc(Cl)[nH]c3c4ccccc4
InChi:InChI=1S/C20H12ClF3N4O2/c21-19-25-16(12-5-2-1-3-6-12)18(26-19)17-15(29)9-10-28(27-17)13-7-4-8-14(11-13)30-20(22,23)24/h1-11H,(H,25,26)
定義日:2015-10-22
最終更新日:2016-03-04
公開日:2016-03-09
識別子（ID）:3-(2-chloranyl-5-phenyl-1~{H}-imidazol-4-yl)-1-[3-(trifluoromethyloxy)phenyl]pyridazin-4-one
5O5
5O5
表記:5-[[3,4-bis(chloranyl)phenoxy]methyl]-1~{H}-1,2,3,4-tetrazole
組成式:C8 H6 Cl2 N4 O
SMILES:Clc1ccc(OCc2[nH]nnn2)cc1Cl
InChi:InChI=1S/C8H6Cl2N4O/c9-6-2-1-5(3-7(6)10)15-4-8-11-13-14-12-8/h1-3H,4H2,(H,11,12,13,14)
定義日:2015-10-29
最終更新日:2016-03-04
公開日:2016-03-09
識別子（ID）:5-[[3,4-bis(chloranyl)phenoxy]methyl]-1~{H}-1,2,3,4-tetrazole
5ON
5ON
表記:(~{E})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid
組成式:C18 H16 O5
SMILES:OC(=O)Cc1cccc(COc2cccc(C=CC(O)=O)c2)c1
InChi:InChI=1S/C18H16O5/c19-17(20)8-7-13-3-2-6-16(10-13)23-12-15-5-1-4-14(9-15)11-18(21)22/h1-10H,11-12H2,(H,19,20)(H,21,22)/b8-7+
定義日:2015-10-30
最終更新日:2016-03-04
公開日:2016-03-09
識別子（ID）:(~{E})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic 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
5PZ
5PZ
表記:(1~{R})-2-[2-azanylidene-3-[(2-methylphenyl)methyl]benzimidazol-1-yl]-1-(3,4-dichlorophenyl)ethanol
組成式:C23 H21 Cl2 N3 O
SMILES:Cc1ccccc1CN2C(=N)N(C[CH](O)c3ccc(Cl)c(Cl)c3)c4ccccc24
InChi:InChI=1S/C23H21Cl2N3O/c1-15-6-2-3-7-17(15)13-27-20-8-4-5-9-21(20)28(23(27)26)14-22(29)16-10-11-18(24)19(25)12-16/h2-12,22,26,29H,13-14H2,1H3/b26-23-/t22-/m0/s1
定義日:2015-11-06
最終更新日:2016-03-04
公開日:2016-03-09
識別子（ID）:(1~{R})-2-[2-azanylidene-3-[(2-methylphenyl)methyl]benzimidazol-1-yl]-1-(3,4-dichlorophenyl)ethanol
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
5SW
5SW
表記:4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one
組成式:C20 H23 N3 O3
SMILES:COc1cc(cc(OC)c1CN(C)C)C2=CN(C)C(=O)c3cnccc23
InChi:InChI=1S/C20H23N3O3/c1-22(2)11-17-18(25-4)8-13(9-19(17)26-5)16-12-23(3)20(24)15-10-21-7-6-14(15)16/h6-10,12H,11H2,1-5H3
定義日:2015-11-25
最終更新日:2016-03-04
公開日:2016-03-09
識別子（ID）:4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one

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