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W3M
W3M
表記:1H-imidazole-5-carbonitrile
組成式:C4 H3 N3
SMILES:n1cncc1C#N
InChi:InChI=1S/C4H3N3/c5-1-4-2-6-3-7-4/h2-3H,(H,6,7)
定義日:2020-09-24
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:1H-imidazole-5-carbonitrile
W3P
W3P
表記:1,8-naphthyridine
組成式:C8 H6 N2
SMILES:n1cccc2cccnc12
InChi:InChI=1S/C8H6N2/c1-3-7-4-2-6-10-8(7)9-5-1/h1-6H
定義日:2020-09-24
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:1,8-naphthyridine
W3S
W3S
表記:[1,2,4]triazolo[4,3-a]pyridin-3-amine
組成式:C6 H6 N4
SMILES:n2c(n1ccccc1n2)N
InChi:InChI=1S/C6H6N4/c7-6-9-8-5-3-1-2-4-10(5)6/h1-4H,(H2,7,9)
定義日:2020-09-24
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:[1,2,4]triazolo[4,3-a]pyridin-3-amine
W3V
W3V
表記:1-carbamoylpiperidine-4-carboxylic acid
組成式:C7 H12 N2 O3
SMILES:N1(CCC(CC1)C(O)=O)C(N)=O
InChi:InChI=1S/C7H12N2O3/c8-7(12)9-3-1-5(2-4-9)6(10)11/h5H,1-4H2,(H2,8,12)(H,10,11)
定義日:2020-09-24
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:1-carbamoylpiperidine-4-carboxylic acid
W3Y
W3Y
表記:(5S)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
組成式:C10 H9 Cl N2 O2
SMILES:N2C(N(c1ccc(cc1)Cl)C(C2=O)C)=O
InChi:InChI=1S/C10H9ClN2O2/c1-6-9(14)12-10(15)13(6)8-4-2-7(11)3-5-8/h2-6H,1H3,(H,12,14,15)/t6-/m0/s1
定義日:2020-09-24
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:(5S)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
W9D
W9D
表記:5-{[4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino}-3,3-dimethyl-2-benzofuran-1(3H)-one
組成式:C24 H22 N6 O4
SMILES:c1cc(cc2c1C(OC2(C)C)=O)Nc4ncc(c3ocnn3)c(n4)NC(CO)c5ccccc5
InChi:InChI=1S/C24H22N6O4/c1-24(2)18-10-15(8-9-16(18)22(32)34-24)27-23-25-11-17(21-30-26-13-33-21)20(29-23)28-19(12-31)14-6-4-3-5-7-14/h3-11,13,19,31H,12H2,1-2H3,(H2,25,27,28,29)/t19-/m1/s1
定義日:2020-10-01
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:5-{[4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino}-3,3-dimethyl-2-benzofuran-1(3H)-one
WOY
WOY
表記:6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
組成式:C6 H7 N3
SMILES:n2c1NCCc1cnc2
InChi:InChI=1S/C6H7N3/c1-2-8-6-5(1)3-7-4-9-6/h3-4H,1-2H2,(H,7,8,9)
定義日:2020-11-02
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
WPS
WPS
表記:5-amino-3-methyl-1H-pyrazole-4-carbonitrile
組成式:C5 H6 N4
SMILES:n1nc(c(C#N)c1N)C
InChi:InChI=1S/C5H6N4/c1-3-4(2-6)5(7)9-8-3/h1H3,(H3,7,8,9)
定義日:2020-11-04
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:5-amino-3-methyl-1H-pyrazole-4-carbonitrile
WPV
WPV
表記:1-(5-bromopyridin-3-yl)methanamine
組成式:C6 H7 Br N2
SMILES:n1cc(cc(c1)Br)CN
InChi:InChI=1S/C6H7BrN2/c7-6-1-5(2-8)3-9-4-6/h1,3-4H,2,8H2
定義日:2020-11-04
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:1-(5-bromopyridin-3-yl)methanamine
WPY
WPY
表記:N-(1,3-thiazol-2-yl)acetamide
組成式:C5 H6 N2 O S
SMILES:n1c(NC(=O)C)scc1
InChi:InChI=1S/C5H6N2OS/c1-4(8)7-5-6-2-3-9-5/h2-3H,1H3,(H,6,7,8)
定義日:2020-11-04
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:N-(1,3-thiazol-2-yl)acetamide
WQ4
WQ4
表記:5-amino-2-methyl-1,3-oxazole-4-carbonitrile
組成式:C5 H5 N3 O
SMILES:N#Cc1c(oc(n1)C)N
InChi:InChI=1S/C5H5N3O/c1-3-8-4(2-6)5(7)9-3/h7H2,1H3
定義日:2020-11-04
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:5-amino-2-methyl-1,3-oxazole-4-carbonitrile
WQ7
WQ7
表記:1-(2-aminoethyl)pyridin-2(1H)-one
組成式:C7 H10 N2 O
SMILES:NCCN1C(C=CC=C1)=O
InChi:InChI=1S/C7H10N2O/c8-4-6-9-5-2-1-3-7(9)10/h1-3,5H,4,6,8H2
定義日:2020-11-04
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:1-(2-aminoethyl)pyridin-2(1H)-one
WQA
WQA
表記:2H-pyrazolo[3,4-b]pyridin-5-amine
組成式:C6 H6 N4
SMILES:n1c2c(cc(N)c1)cnn2
InChi:InChI=1S/C6H6N4/c7-5-1-4-2-9-10-6(4)8-3-5/h1-3H,7H2,(H,8,9,10)
定義日:2020-11-04
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:2H-pyrazolo[3,4-b]pyridin-5-amine
WQG
WQG
表記:quinazolin-4(3H)-one
組成式:C8 H6 N2 O
SMILES:N2C=Nc1c(cccc1)C2=O
InChi:InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
定義日:2020-11-04
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:quinazolin-4(3H)-one
WQJ
WQJ
表記:7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine
組成式:C8 H10 N2 O
SMILES:Nc2cnc1CCOCc1c2
InChi:InChI=1S/C8H10N2O/c9-7-3-6-5-11-2-1-8(6)10-4-7/h3-4H,1-2,5,9H2
定義日:2020-11-04
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine
WQV
WQV
表記:N-(5-bromo-2-oxo-1,2-dihydropyridin-3-yl)acetamide
組成式:C7 H7 Br N2 O2
SMILES:N1C(=O)C(NC(=O)C)=CC(=C1)Br
InChi:InChI=1S/C7H7BrN2O2/c1-4(11)10-6-2-5(8)3-9-7(6)12/h2-3H,1H3,(H,9,12)(H,10,11)
定義日:2020-11-04
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:N-(5-bromo-2-oxo-1,2-dihydropyridin-3-yl)acetamide
WQY
WQY
表記:1-(quinolin-3-yl)methanamine
組成式:C10 H10 N2
SMILES:n2c1ccccc1cc(CN)c2
InChi:InChI=1S/C10H10N2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5,7H,6,11H2
定義日:2020-11-04
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:1-(quinolin-3-yl)methanamine
WRD
WRD
表記:(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol
組成式:C10 H13 N O
SMILES:NC2CCCc1c(cccc12)O
InChi:InChI=1S/C10H13NO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h2-3,6,9,12H,1,4-5,11H2/t9-/m1/s1
定義日:2020-11-04
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol
WRJ
WRJ
表記:2H-1-benzopyran-3-carboxamide
組成式:C10 H9 N O2
SMILES:c1cccc2c1C=C(C(=O)N)CO2
InChi:InChI=1S/C10H9NO2/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2,(H2,11,12)
定義日:2020-11-04
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:2H-1-benzopyran-3-carboxamide
WRM
WRM
表記:2-(1H-benzimidazol-1-yl)-N-methylacetamide
組成式:C10 H11 N3 O
SMILES:n1(CC(=O)NC)cnc2ccccc12
InChi:InChI=1S/C10H11N3O/c1-11-10(14)6-13-7-12-8-4-2-3-5-9(8)13/h2-5,7H,6H2,1H3,(H,11,14)
定義日:2020-11-04
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:2-(1H-benzimidazol-1-yl)-N-methylacetamide
WRV
WRV
表記:N-(3-fluoro-4-methylphenyl)-N'-[(2S)-1-hydroxypropan-2-yl]urea
組成式:C11 H15 F N2 O2
SMILES:N(C(C)CO)C(Nc1ccc(c(c1)F)C)=O
InChi:InChI=1S/C11H15FN2O2/c1-7-3-4-9(5-10(7)12)14-11(16)13-8(2)6-15/h3-5,8,15H,6H2,1-2H3,(H2,13,14,16)/t8-/m0/s1
定義日:2020-11-04
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:N-(3-fluoro-4-methylphenyl)-N'-[(2S)-1-hydroxypropan-2-yl]urea
WRY
WRY
表記:7-fluoro-N,2-dimethylquinoline-3-carboxamide
組成式:C12 H11 F N2 O
SMILES:N(C)C(=O)c2cc1ccc(F)cc1nc2C
InChi:InChI=1S/C12H11FN2O/c1-7-10(12(16)14-2)5-8-3-4-9(13)6-11(8)15-7/h3-6H,1-2H3,(H,14,16)
定義日:2020-11-04
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:7-fluoro-N,2-dimethylquinoline-3-carboxamide
WS4
WS4
表記:N-(4-hydroxyphenyl)-1-methyl-1H-pyrazole-4-carboxamide
組成式:C11 H11 N3 O2
SMILES:n2n(cc(C(=O)Nc1ccc(cc1)O)c2)C
InChi:InChI=1S/C11H11N3O2/c1-14-7-8(6-12-14)11(16)13-9-2-4-10(15)5-3-9/h2-7,15H,1H3,(H,13,16)
定義日:2020-11-04
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:N-(4-hydroxyphenyl)-1-methyl-1H-pyrazole-4-carboxamide
WSG
WSG
表記:N-(1-ethyl-1H-pyrazol-4-yl)-4-fluorobenzamide
組成式:C12 H12 F N3 O
SMILES:n2(CC)ncc(NC(=O)c1ccc(cc1)F)c2
InChi:InChI=1S/C12H12FN3O/c1-2-16-8-11(7-14-16)15-12(17)9-3-5-10(13)6-4-9/h3-8H,2H2,1H3,(H,15,17)
定義日:2020-11-04
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:N-(1-ethyl-1H-pyrazol-4-yl)-4-fluorobenzamide
WSJ
WSJ
表記:N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methanesulfonamide
組成式:C12 H15 N3 O3 S
SMILES:N1(C(C)=C(NS(=O)(=O)C)C(N1c2ccccc2)=O)C
InChi:InChI=1S/C12H15N3O3S/c1-9-11(13-19(3,17)18)12(16)15(14(9)2)10-7-5-4-6-8-10/h4-8,13H,1-3H3
定義日:2020-11-04
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methanesulfonamide

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件を2025-07-09に公開中

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