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JHV
JHV
表記:4-chloro-N~1~-(pyridin-4-yl)benzene-1,2-diamine
組成式:C11 H10 Cl N3
SMILES:c1(ccncc1)Nc2ccc(cc2N)Cl
InChi:InChI=1S/C11H10ClN3/c12-8-1-2-11(10(13)7-8)15-9-3-5-14-6-4-9/h1-7H,13H2,(H,14,15)
定義日:2018-09-10
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:4-chloro-N~1~-(pyridin-4-yl)benzene-1,2-diamine
JJ4
JJ4
表記:3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide
組成式:C12 H18 N2 O S
SMILES:C(C(Nc1ncc(C)s1)=O)CC2CCCC2
InChi:InChI=1S/C12H18N2OS/c1-9-8-13-12(16-9)14-11(15)7-6-10-4-2-3-5-10/h8,10H,2-7H2,1H3,(H,13,14,15)
定義日:2018-09-10
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide
JJ7
JJ7
表記:1-{4-[(2-methoxyethyl)amino]piperidin-1-yl}ethan-1-one
組成式:C10 H20 N2 O2
SMILES:CC(N1CCC(CC1)NCCOC)=O
InChi:InChI=1S/C10H20N2O2/c1-9(13)12-6-3-10(4-7-12)11-5-8-14-2/h10-11H,3-8H2,1-2H3
定義日:2018-09-10
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:1-{4-[(2-methoxyethyl)amino]piperidin-1-yl}ethan-1-one
JJG
JJG
表記:4-[2-(phenylsulfanyl)ethyl]morpholine
組成式:C12 H17 N O S
SMILES:C1COCCN1CCSc2ccccc2
InChi:InChI=1S/C12H17NOS/c1-2-4-12(5-3-1)15-11-8-13-6-9-14-10-7-13/h1-5H,6-11H2
定義日:2018-09-10
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:4-[2-(phenylsulfanyl)ethyl]morpholine
JJM
JJM
表記:1-methyl-N-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
組成式:C13 H13 N5
SMILES:c32c(Nc1cccc(C)c1)ncnc2n(nc3)C
InChi:InChI=1S/C13H13N5/c1-9-4-3-5-10(6-9)17-12-11-7-16-18(2)13(11)15-8-14-12/h3-8H,1-2H3,(H,14,15,17)
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:1-methyl-N-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
JJP
JJP
表記:(2S,5S,6R)-7-methyl-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol
組成式:C15 H18 N2 O
SMILES:c1c2c4c(n(C)c2ccc1)C3C(CNC(C3)C4)O
InChi:InChI=1S/C15H18N2O/c1-17-13-5-3-2-4-10(13)11-6-9-7-12(15(11)17)14(18)8-16-9/h2-5,9,12,14,16,18H,6-8H2,1H3/t9-,12+,14-/m1/s1
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:(2S,5S,6R)-7-methyl-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol
JJY
JJY
表記:3,4,6,7-tetrahydroacridine-1,8(2H,5H)-dione
組成式:C13 H13 N O2
SMILES:C2CC(c3cc1C(=O)CCCc1nc3C2)=O
InChi:InChI=1S/C13H13NO2/c15-12-5-1-3-10-8(12)7-9-11(14-10)4-2-6-13(9)16/h7H,1-6H2
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:3,4,6,7-tetrahydroacridine-1,8(2H,5H)-dione
JK7
JK7
表記:N-[(1S,2S,3S,4R)-3-hydroxy-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-2-yl]cyclobutanecarboxamide
組成式:C15 H17 N O3
SMILES:C4C(C(NC1C(C2c3ccccc3C1O2)O)=O)CC4
InChi:InChI=1S/C15H17NO3/c17-12-11(16-15(18)8-4-3-5-8)13-9-6-1-2-7-10(9)14(12)19-13/h1-2,6-8,11-14,17H,3-5H2,(H,16,18)/t11-,12-,13-,14+/m0/s1
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:N-[(1S,2S,3S,4R)-3-hydroxy-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-2-yl]cyclobutanecarboxamide
JKA
JKA
表記:(1S,4R,5S,6R)-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane-4,6-diol
組成式:C9 H17 N O4 S
SMILES:C1C2C(CN(S(C)(=O)=O)C1CCC2O)O
InChi:InChI=1S/C9H17NO4S/c1-15(13,14)10-5-9(12)7-4-6(10)2-3-8(7)11/h6-9,11-12H,2-5H2,1H3/t6-,7-,8+,9-/m0/s1
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:(1S,4R,5S,6R)-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane-4,6-diol
JKG
JKG
表記:4-({[(thiophen-2-yl)methyl]amino}methyl)phenol
組成式:C12 H13 N O S
SMILES:c2c(CNCc1cccs1)ccc(c2)O
InChi:InChI=1S/C12H13NOS/c14-11-5-3-10(4-6-11)8-13-9-12-2-1-7-15-12/h1-7,13-14H,8-9H2
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:4-({[(thiophen-2-yl)methyl]amino}methyl)phenol
JKJ
JKJ
表記:(1R,3R,4S)-3-(methoxymethyl)-2-(methylsulfonyl)-2-azabicyclo[2.2.2]octan-4-ol
組成式:C10 H19 N O4 S
SMILES:COCC1C2(CCC(N1S(=O)(C)=O)CC2)O
InChi:InChI=1S/C10H19NO4S/c1-15-7-9-10(12)5-3-8(4-6-10)11(9)16(2,13)14/h8-9,12H,3-7H2,1-2H3/t8-,9-,10-/m1/s1
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:(1R,3R,4S)-3-(methoxymethyl)-2-(methylsulfonyl)-2-azabicyclo[2.2.2]octan-4-ol
JKP
JKP
表記:2,6-dichloropyridine-4-carboxylic acid
組成式:C6 H3 Cl2 N O2
SMILES:OC(c1cc(nc(c1)Cl)Cl)=O
InChi:InChI=1S/C6H3Cl2NO2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2H,(H,10,11)
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:2,6-dichloropyridine-4-carboxylic acid
JKS
JKS
表記:5-(pyrrolidin-1-yl)pyridine-2-carbonitrile
組成式:C10 H11 N3
SMILES:C1CCCN1c2ccc(C#N)nc2
InChi:InChI=1S/C10H11N3/c11-7-9-3-4-10(8-12-9)13-5-1-2-6-13/h3-4,8H,1-2,5-6H2
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:5-(pyrrolidin-1-yl)pyridine-2-carbonitrile
JKV
JKV
表記:3-(4-chlorophenyl)-1H-pyrazol-5-amine
組成式:C9 H8 Cl N3
SMILES:c1(Cl)ccc(cc1)c2cc(N)nn2
InChi:InChI=1S/C9H8ClN3/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H,(H3,11,12,13)
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:3-(4-chlorophenyl)-1H-pyrazol-5-amine
JKY
JKY
表記:N-[(4-chlorophenyl)methyl]methanesulfonamide
組成式:C8 H10 Cl N O2 S
SMILES:c1(ccc(cc1)CNS(C)(=O)=O)Cl
InChi:InChI=1S/C8H10ClNO2S/c1-13(11,12)10-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:N-[(4-chlorophenyl)methyl]methanesulfonamide
JL1
JL1
表記:2-[(4-methylphenyl)sulfanyl]pyridine-3-carboxylic acid
組成式:C13 H11 N O2 S
SMILES:c2cnc(Sc1ccc(cc1)C)c(C(=O)O)c2
InChi:InChI=1S/C13H11NO2S/c1-9-4-6-10(7-5-9)17-12-11(13(15)16)3-2-8-14-12/h2-8H,1H3,(H,15,16)
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:2-[(4-methylphenyl)sulfanyl]pyridine-3-carboxylic acid
JL7
JL7
表記:2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid
組成式:C11 H6 F3 N O2 S
SMILES:c1cc(ccc1c2scc(C(=O)O)n2)C(F)(F)F
InChi:InChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-1-6(2-4-7)9-15-8(5-18-9)10(16)17/h1-5H,(H,16,17)
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid
JLA
JLA
表記:4-(piperidin-1-yl)benzoic acid
組成式:C12 H15 N O2
SMILES:C1CCN(CC1)c2ccc(C(=O)O)cc2
InChi:InChI=1S/C12H15NO2/c14-12(15)10-4-6-11(7-5-10)13-8-2-1-3-9-13/h4-7H,1-3,8-9H2,(H,14,15)
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:4-(piperidin-1-yl)benzoic acid
JLD
JLD
表記:[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol
組成式:C13 H18 F N O
SMILES:c2(C1CCN(C)CC1CO)ccc(cc2)F
InChi:InChI=1S/C13H18FNO/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3/t11-,13-/m0/s1
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol
JLG
JLG
表記:2-(thiophen-2-yl)-1,3-thiazole-4-carboxylic acid
組成式:C8 H5 N O2 S2
SMILES:c2c(c1scc(C(=O)O)n1)scc2
InChi:InChI=1S/C8H5NO2S2/c10-8(11)5-4-13-7(9-5)6-2-1-3-12-6/h1-4H,(H,10,11)
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:2-(thiophen-2-yl)-1,3-thiazole-4-carboxylic acid
JLM
JLM
表記:3-methyl-1-benzofuran-2-carboxylic acid
組成式:C10 H8 O3
SMILES:c12c(C)c(C(O)=O)oc1cccc2
InChi:InChI=1S/C10H8O3/c1-6-7-4-2-3-5-8(7)13-9(6)10(11)12/h2-5H,1H3,(H,11,12)
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:3-methyl-1-benzofuran-2-carboxylic acid
JLV
JLV
表記:N-cyclohexyl-N'-methylthiourea
組成式:C8 H16 N2 S
SMILES:C1CCCC(NC(NC)=S)C1
InChi:InChI=1S/C8H16N2S/c1-9-8(11)10-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H2,9,10,11)
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:N-cyclohexyl-N'-methylthiourea
JMA
JMA
表記:4-(5,6-dichloro-1H-benzimidazol-1-yl)butan-1-ol
組成式:C11 H12 Cl2 N2 O
SMILES:c1c(c(Cl)cc2n(CCCCO)cnc12)Cl
InChi:InChI=1S/C11H12Cl2N2O/c12-8-5-10-11(6-9(8)13)15(7-14-10)3-1-2-4-16/h5-7,16H,1-4H2
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:4-(5,6-dichloro-1H-benzimidazol-1-yl)butan-1-ol
JMD
JMD
表記:4-(2-hydroxyethyl)benzonitrile
組成式:C9 H9 N O
SMILES:C(c1ccc(CCO)cc1)#N
InChi:InChI=1S/C9H9NO/c10-7-9-3-1-8(2-4-9)5-6-11/h1-4,11H,5-6H2
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:4-(2-hydroxyethyl)benzonitrile
JMG
JMG
表記:5-phenylthiophene-2-carboxylic acid
組成式:C11 H8 O2 S
SMILES:c2c(c1ccc(C(O)=O)s1)cccc2
InChi:InChI=1S/C11H8O2S/c12-11(13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H,(H,12,13)
定義日:2018-09-11
最終更新日:2018-10-05
公開日:2018-10-10
識別子（ID）:5-phenylthiophene-2-carboxylic acid

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