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8FZ
8FZ
表記:(5-pyridin-3-yloxyfuran-2-yl)methanamine
組成式:C10 H10 N2 O2
SMILES:NCc1oc(Oc2cccnc2)cc1
InChi:InChI=1S/C10H10N2O2/c11-6-8-3-4-10(13-8)14-9-2-1-5-12-7-9/h1-5,7H,6,11H2
定義日:2017-02-06
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:(5-pyridin-3-yloxyfuran-2-yl)methanamine
8G5
8G5
表記:(4R)-4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one
組成式:C12 H16 N2 O2 S
SMILES:Nc1scc(n1)[CH]2CC(=O)OC23CCCCC3
InChi:InChI=1S/C12H16N2O2S/c13-11-14-9(7-17-11)8-6-10(15)16-12(8)4-2-1-3-5-12/h7-8H,1-6H2,(H2,13,14)/t8-/m1/s1
定義日:2017-02-06
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:(4~{R})-4-(2-azanyl-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one
8J2
8J2
表記:propan-2-yl ~{N}-[(2~{S},4~{R})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate
組成式:C24 H29 N3 O4
SMILES:CC(C)OC(=O)N[CH]1C[CH](C)N(C(C)=O)c2ccc(cc12)c3cccc(NC(C)=O)c3
InChi:InChI=1S/C24H29N3O4/c1-14(2)31-24(30)26-22-11-15(3)27(17(5)29)23-10-9-19(13-21(22)23)18-7-6-8-20(12-18)25-16(4)28/h6-10,12-15,22H,11H2,1-5H3,(H,25,28)(H,26,30)/t15-,22+/m0/s1
定義日:2017-02-08
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:propan-2-yl ~{N}-[(2~{S},4~{R})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate
8JT
8JT
表記:1,3-benzodioxol-5-ylmethyl(cyclopentyl)azanium
組成式:C13 H18 N O2
SMILES:C1CCC(C1)[NH2+]Cc2ccc3OCOc3c2
InChi:InChI=1S/C13H17NO2/c1-2-4-11(3-1)14-8-10-5-6-12-13(7-10)16-9-15-12/h5-7,11,14H,1-4,8-9H2/p+1
定義日:2017-02-09
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:1,3-benzodioxol-5-ylmethyl(cyclopentyl)azanium
8LZ
8LZ
表記:(2~{S})-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium
組成式:C12 H16 N O2
SMILES:C1C[NH2+][CH](C1)c2ccc3OCCOc3c2
InChi:InChI=1S/C12H15NO2/c1-2-10(13-5-1)9-3-4-11-12(8-9)15-7-6-14-11/h3-4,8,10,13H,1-2,5-7H2/p+1/t10-/m0/s1
定義日:2017-02-10
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:(2~{S})-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium
8M8
8M8
表記:3,4-dimethyl-5-(1~{H}-1,2,4-triazol-3-yl)thiophene-2-carbonitrile
組成式:C9 H8 N4 S
SMILES:Cc1c(C)c(sc1C#N)c2n[nH]cn2
InChi:InChI=1S/C9H8N4S/c1-5-6(2)8(14-7(5)3-10)9-11-4-12-13-9/h4H,1-2H3,(H,11,12,13)
定義日:2017-02-11
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:3,4-dimethyl-5-(1~{H}-1,2,4-triazol-3-yl)thiophene-2-carbonitrile
8MQ
8MQ
表記:2-(azepan-1-yl)-1-(1~{H}-indol-3-yl)propan-1-one
組成式:C17 H22 N2 O
SMILES:CC(N1CCCCCC1)C(=O)c2c[nH]c3ccccc23
InChi:InChI=1S/C17H22N2O/c1-13(19-10-6-2-3-7-11-19)17(20)15-12-18-16-9-5-4-8-14(15)16/h4-5,8-9,12-13,18H,2-3,6-7,10-11H2,1H3
定義日:2017-02-12
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:2-(azepan-1-yl)-1-(1~{H}-indol-3-yl)propan-1-one
8MW
8MW
表記:2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid
組成式:C12 H12 N2 O2 S
SMILES:Cc1nc(nc2sc(C(O)=O)c(C)c12)C3CC3
InChi:InChI=1S/C12H12N2O2S/c1-5-8-6(2)13-10(7-3-4-7)14-11(8)17-9(5)12(15)16/h7H,3-4H2,1-2H3,(H,15,16)
定義日:2017-02-13
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid
8MZ
8MZ
表記:5-(2-azanyl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one
組成式:C10 H8 N4 O S
SMILES:Nc1scc(n1)c2ccc3NC(=O)Nc3c2
InChi:InChI=1S/C10H8N4OS/c11-9-12-8(4-16-9)5-1-2-6-7(3-5)14-10(15)13-6/h1-4H,(H2,11,12)(H2,13,14,15)
定義日:2017-02-13
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:5-(2-azanyl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one
8N2
8N2
表記:(~{E})-3-(2,3-dimethoxyphenyl)prop-2-enoic acid
組成式:C11 H12 O4
SMILES:COc1cccc(C=CC(O)=O)c1OC
InChi:InChI=1S/C11H12O4/c1-14-9-5-3-4-8(11(9)15-2)6-7-10(12)13/h3-7H,1-2H3,(H,12,13)/b7-6+
定義日:2017-02-13
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:(~{E})-3-(2,3-dimethoxyphenyl)prop-2-enoic acid
8N5
8N5
表記:2,5-dihydro-1~{H}-isothiochromeno[4,3-c]pyrazol-3-one
組成式:C10 H8 N2 O S
SMILES:O=C1NNC2=C1SCc3ccccc23
InChi:InChI=1S/C10H8N2OS/c13-10-9-8(11-12-10)7-4-2-1-3-6(7)5-14-9/h1-4H,5H2,(H2,11,12,13)
定義日:2017-02-13
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:2,5-dihydro-1~{H}-isothiochromeno[4,3-c]pyrazol-3-one
8QD
8QD
表記:(3alpha,5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-ol
組成式:C24 H33 N O
SMILES:c1ccncc1C=4C3(CCC5C2(CCC(O)CC2CCC5C3CC=4)C)C
InChi:InChI=1S/C24H33NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-4,7,13,15,17-19,21-22,26H,5-6,8-12,14H2,1-2H3/t17-,18+,19-,21-,22-,23-,24+/m0/s1
定義日:2017-03-01
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:(3alpha,5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-ol
8QH
8QH
表記:(4~{Z})-6,7-bis(chloranyl)-4-[[(4-methylphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one
組成式:C20 H15 Cl2 N O3
SMILES:Cc1ccc(NC=C2C(=O)CCc3c2oc4c(Cl)c(Cl)c(O)cc34)cc1
InChi:InChI=1S/C20H15Cl2NO3/c1-10-2-4-11(5-3-10)23-9-14-15(24)7-6-12-13-8-16(25)17(21)18(22)20(13)26-19(12)14/h2-5,8-9,23,25H,6-7H2,1H3/b14-9+
定義日:2017-02-25
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:(4~{Z})-6,7-bis(chloranyl)-4-[[(4-methylphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one
8QK
8QK
表記:1,3-bis(chloranyl)-6-[(~{E})-(4-methoxyphenyl)iminomethyl]dibenzofuran-2,7-diol
組成式:C20 H13 Cl2 N O4
SMILES:COc1ccc(cc1)N=Cc2c(O)ccc3c2oc4cc(Cl)c(O)c(Cl)c34
InChi:InChI=1S/C20H13Cl2NO4/c1-26-11-4-2-10(3-5-11)23-9-13-15(24)7-6-12-17-16(27-20(12)13)8-14(21)19(25)18(17)22/h2-9,24-25H,1H3/b23-9+
定義日:2017-02-25
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:1,3-bis(chloranyl)-6-[(~{E})-(4-methoxyphenyl)iminomethyl]dibenzofuran-2,7-diol
8S9
8S9
表記:3-[4-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazol-2-yl]benzoic acid
組成式:C22 H13 Cl2 N O3
SMILES:OC(=O)c1cccc(c1)c2oc(c3ccccc3)c(n2)c4ccc(Cl)c(Cl)c4
InChi:InChI=1S/C22H13Cl2NO3/c23-17-10-9-14(12-18(17)24)19-20(13-5-2-1-3-6-13)28-21(25-19)15-7-4-8-16(11-15)22(26)27/h1-12H,(H,26,27)
定義日:2017-01-18
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:3-[4-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazol-2-yl]benzoic acid
AHK
AHK
表記:2-(1~{H}-benzimidazol-2-yl)ethyl-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]azanium
組成式:C24 H25 Cl N3
SMILES:CCc1ccccc1c2ccc(C[NH2+]CCc3[nH]c4ccccc4n3)cc2Cl
InChi:InChI=1S/C24H24ClN3/c1-2-18-7-3-4-8-19(18)20-12-11-17(15-21(20)25)16-26-14-13-24-27-22-9-5-6-10-23(22)28-24/h3-12,15,26H,2,13-14,16H2,1H3,(H,27,28)/p+1
定義日:2017-08-18
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:2-(1~{H}-benzimidazol-2-yl)ethyl-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]azanium
AJK
AJK
表記:(3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-pyrrol-2-yl)ethyl]azanium
組成式:C19 H20 Cl N2
SMILES:Clc1cc(C[NH2+]CCc2[nH]ccc2)ccc1c3ccccc3
InChi:InChI=1S/C19H19ClN2/c20-19-13-15(14-21-12-10-17-7-4-11-22-17)8-9-18(19)16-5-2-1-3-6-16/h1-9,11,13,21-22H,10,12,14H2/p+1
定義日:2017-08-21
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:(3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-pyrrol-2-yl)ethyl]azanium
AOK
AOK
表記:~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methyl-1~{H}-benzimidazol-2-yl)ethanamine
組成式:C25 H26 Cl N3
SMILES:CCc1ccccc1c2ccc(CNCCc3[nH]c4ccc(C)cc4n3)cc2Cl
InChi:InChI=1S/C25H26ClN3/c1-3-19-6-4-5-7-20(19)21-10-9-18(15-22(21)26)16-27-13-12-25-28-23-11-8-17(2)14-24(23)29-25/h4-11,14-15,27H,3,12-13,16H2,1-2H3,(H,28,29)
定義日:2017-08-22
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methyl-1~{H}-benzimidazol-2-yl)ethanamine
AOW
AOW
表記:[2-[2-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methylamino]ethyl]-3~{H}-benzimidazol-4-yl]-oxidanyl-oxidanylidene-azanium
組成式:C24 H24 Cl N4 O2
SMILES:CCc1ccccc1c2ccc(CNCCc3[nH]c4c(cccc4[N+](O)=O)n3)cc2Cl
InChi:InChI=1S/C24H24ClN4O2/c1-2-17-6-3-4-7-18(17)19-11-10-16(14-20(19)25)15-26-13-12-23-27-21-8-5-9-22(29(30)31)24(21)28-23/h3-11,14,26H,2,12-13,15H2,1H3,(H,27,28)(H,30,31)/q+1
定義日:2017-08-22
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:[2-[2-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methylamino]ethyl]-3~{H}-benzimidazol-4-yl]-oxidanyl-oxidanylidene-azanium
AQ8
AQ8
表記:~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(4-methoxy-1~{H}-benzimidazol-2-yl)ethanamine
組成式:C25 H26 Cl N3 O
SMILES:CCc1ccccc1c2ccc(CNCCc3[nH]c4cccc(OC)c4n3)cc2Cl
InChi:InChI=1S/C25H26ClN3O/c1-3-18-7-4-5-8-19(18)20-12-11-17(15-21(20)26)16-27-14-13-24-28-22-9-6-10-23(30-2)25(22)29-24/h4-12,15,27H,3,13-14,16H2,1-2H3,(H,28,29)
定義日:2017-08-22
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(4-methoxy-1~{H}-benzimidazol-2-yl)ethanamine
AQT
AQT
表記:~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methoxy-1~{H}-benzimidazol-2-yl)ethanamine
組成式:C25 H26 Cl N3 O
SMILES:CCc1ccccc1c2ccc(CNCCc3[nH]c4ccc(OC)cc4n3)cc2Cl
InChi:InChI=1S/C25H26ClN3O/c1-3-18-6-4-5-7-20(18)21-10-8-17(14-22(21)26)16-27-13-12-25-28-23-11-9-19(30-2)15-24(23)29-25/h4-11,14-15,27H,3,12-13,16H2,1-2H3,(H,28,29)
定義日:2017-08-22
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methoxy-1~{H}-benzimidazol-2-yl)ethanamine
AQW
AQW
表記:2-(5-chloranyl-1~{H}-benzimidazol-2-yl)-~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine
組成式:C24 H23 Cl2 N3
SMILES:CCc1ccccc1c2ccc(CNCCc3[nH]c4ccc(Cl)cc4n3)cc2Cl
InChi:InChI=1S/C24H23Cl2N3/c1-2-17-5-3-4-6-19(17)20-9-7-16(13-21(20)26)15-27-12-11-24-28-22-10-8-18(25)14-23(22)29-24/h3-10,13-14,27H,2,11-12,15H2,1H3,(H,28,29)
定義日:2017-08-22
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:2-(5-chloranyl-1~{H}-benzimidazol-2-yl)-~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine
AUH
AUH
表記:2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methoxy-phenyl]methyl]ethanamine
組成式:C25 H27 N3 O
SMILES:CCc1ccccc1c2ccc(CNCCc3[nH]c4ccccc4n3)cc2OC
InChi:InChI=1S/C25H27N3O/c1-3-19-8-4-5-9-20(19)21-13-12-18(16-24(21)29-2)17-26-15-14-25-27-22-10-6-7-11-23(22)28-25/h4-13,16,26H,3,14-15,17H2,1-2H3,(H,27,28)
定義日:2017-08-22
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methoxy-phenyl]methyl]ethanamine
AUT
AUT
表記:[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methanamine
組成式:C15 H15 Cl2 N
SMILES:CCc1ccccc1c2c(Cl)cc(CN)cc2Cl
InChi:InChI=1S/C15H15Cl2N/c1-2-11-5-3-4-6-12(11)15-13(16)7-10(9-18)8-14(15)17/h3-8H,2,9,18H2,1H3
定義日:2017-08-23
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methanamine
AUW
AUW
表記:2-(1~{H}-benzimidazol-2-yl)-~{N}-[[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methyl]ethanamine
組成式:C24 H23 Cl2 N3
SMILES:CCc1ccccc1c2c(Cl)cc(CNCCc3[nH]c4ccccc4n3)cc2Cl
InChi:InChI=1S/C24H23Cl2N3/c1-2-17-7-3-4-8-18(17)24-19(25)13-16(14-20(24)26)15-27-12-11-23-28-21-9-5-6-10-22(21)29-23/h3-10,13-14,27H,2,11-12,15H2,1H3,(H,28,29)
定義日:2017-08-23
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:2-(1~{H}-benzimidazol-2-yl)-~{N}-[[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methyl]ethanamine

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