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VUA
VUA
表記:4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
組成式:C18 H24 N4
SMILES:n2ccc(N1CCC(CC1)C)nc2NCCc3ccccc3
InChi:InChI=1S/C18H24N4/c1-15-9-13-22(14-10-15)17-8-12-20-18(21-17)19-11-7-16-5-3-2-4-6-16/h2-6,8,12,15H,7,9-11,13-14H2,1H3,(H,19,20,21)
定義日:2020-09-15
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
VUD
VUD
表記:6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)pyridin-2(1H)-one
組成式:C19 H16 F N5 O2
SMILES:C3(=C(C(Oc2c(nc1c(cc(cc1)F)c2)N)C)NC(=O)C=C3)n4nccc4
InChi:InChI=1S/C19H16FN5O2/c1-11(18-15(5-6-17(26)24-18)25-8-2-7-22-25)27-16-10-12-9-13(20)3-4-14(12)23-19(16)21/h2-11H,1H3,(H2,21,23)(H,24,26)/t11-/m0/s1
定義日:2020-09-15
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)pyridin-2(1H)-one
VZP
VZP
表記:N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-methyl-N'-propan-2-ylurea
組成式:C9 H18 N2 O3 S
SMILES:N(C1CCS(C1)(=O)=O)(C(=O)NC(C)C)C
InChi:InChI=1S/C9H18N2O3S/c1-7(2)10-9(12)11(3)8-4-5-15(13,14)6-8/h7-8H,4-6H2,1-3H3,(H,10,12)/t8-/m1/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）:N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-methyl-N'-propan-2-ylurea
VZY
VZY
表記:N-(3-methylbenzene-1-carbonyl)glycine
組成式:C10 H11 N O3
SMILES:c1c(cc(cc1)C)C(NCC(O)=O)=O
InChi:InChI=1S/C10H11NO3/c1-7-3-2-4-8(5-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
定義日:2020-09-24
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:N-(3-methylbenzene-1-carbonyl)glycine
W0A
W0A
表記:N-[(1H-benzimidazol-2-yl)methyl]butanamide
組成式:C12 H15 N3 O
SMILES:n1c(CNC(=O)CCC)nc2c1cccc2
InChi:InChI=1S/C12H15N3O/c1-2-5-12(16)13-8-11-14-9-6-3-4-7-10(9)15-11/h3-4,6-7H,2,5,8H2,1H3,(H,13,16)(H,14,15)
定義日:2020-09-24
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:N-[(1H-benzimidazol-2-yl)methyl]butanamide
W0D
W0D
表記:N-[(1H-benzimidazol-2-yl)methyl]furan-2-carboxamide
組成式:C13 H11 N3 O2
SMILES:n2c(CNC(=O)c1ccco1)nc3ccccc23
InChi:InChI=1S/C13H11N3O2/c17-13(11-6-3-7-18-11)14-8-12-15-9-4-1-2-5-10(9)16-12/h1-7H,8H2,(H,14,17)(H,15,16)
定義日:2020-09-24
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:N-[(1H-benzimidazol-2-yl)methyl]furan-2-carboxamide
W0G
W0G
表記:(3R)-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-2-one
組成式:C11 H13 F N2 O
SMILES:N1(C(C(CC1)NC)=O)c2ccccc2F
InChi:InChI=1S/C11H13FN2O/c1-13-9-6-7-14(11(9)15)10-5-3-2-4-8(10)12/h2-5,9,13H,6-7H2,1H3/t9-/m1/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）:(3R)-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-2-one
W0J
W0J
表記:(3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine
組成式:C10 H16 N4
SMILES:N1(CCCC(C1)NC)c2nnccc2
InChi:InChI=1S/C10H16N4/c1-11-9-4-3-7-14(8-9)10-5-2-6-12-13-10/h2,5-6,9,11H,3-4,7-8H2,1H3/t9-/m1/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）:(3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine
W0S
W0S
表記:1-(3,4,5-trimethoxyphenyl)methanamine
組成式:C10 H15 N O3
SMILES:C(N)c1cc(c(c(c1)OC)OC)OC
InChi:InChI=1S/C10H15NO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,6,11H2,1-3H3
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-(3,4,5-trimethoxyphenyl)methanamine
W0V
W0V
表記:N-[(1H-benzimidazol-2-yl)methyl]-2-methylpropanamide
組成式:C12 H15 N3 O
SMILES:n1c(CNC(=O)C(C)C)nc2c1cccc2
InChi:InChI=1S/C12H15N3O/c1-8(2)12(16)13-7-11-14-9-5-3-4-6-10(9)15-11/h3-6,8H,7H2,1-2H3,(H,13,16)(H,14,15)
定義日:2020-09-24
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:N-[(1H-benzimidazol-2-yl)methyl]-2-methylpropanamide
W0Y
W0Y
表記:N-methyl-4-sulfamoylbenzamide
組成式:C8 H10 N2 O3 S
SMILES:NS(c1ccc(cc1)C(NC)=O)(=O)=O
InChi:InChI=1S/C8H10N2O3S/c1-10-8(11)6-2-4-7(5-3-6)14(9,12)13/h2-5H,1H3,(H,10,11)(H2,9,12,13)
定義日:2020-09-24
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:N-methyl-4-sulfamoylbenzamide
W1D
W1D
表記:(4-acetylphenoxy)acetic acid
組成式:C10 H10 O4
SMILES:c1cc(ccc1OCC(O)=O)C(C)=O
InChi:InChI=1S/C10H10O4/c1-7(11)8-2-4-9(5-3-8)14-6-10(12)13/h2-5H,6H2,1H3,(H,12,13)
定義日:2020-09-24
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:(4-acetylphenoxy)acetic acid
W1J
W1J
表記:N-(2-propyl-2H-tetrazol-5-yl)furan-2-carboxamide
組成式:C9 H11 N5 O2
SMILES:n2nc(NC(=O)c1ccco1)nn2CCC
InChi:InChI=1S/C9H11N5O2/c1-2-5-14-12-9(11-13-14)10-8(15)7-4-3-6-16-7/h3-4,6H,2,5H2,1H3,(H,10,12,15)
定義日:2020-09-24
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:N-(2-propyl-2H-tetrazol-5-yl)furan-2-carboxamide
W1M
W1M
表記:3-[(1-methyl-1H-pyrazole-3-carbonyl)amino]benzoic acid
組成式:C12 H11 N3 O3
SMILES:n2c(C(=O)Nc1cc(ccc1)C(=O)O)ccn2C
InChi:InChI=1S/C12H11N3O3/c1-15-6-5-10(14-15)11(16)13-9-4-2-3-8(7-9)12(17)18/h2-7H,1H3,(H,13,16)(H,17,18)
定義日:2020-09-24
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:3-[(1-methyl-1H-pyrazole-3-carbonyl)amino]benzoic acid
W1Y
W1Y
表記:N-methyl-1-(1-phenyl-1H-pyrazol-4-yl)methanamine
組成式:C11 H13 N3
SMILES:n1n(cc(CNC)c1)c2ccccc2
InChi:InChI=1S/C11H13N3/c1-12-7-10-8-13-14(9-10)11-5-3-2-4-6-11/h2-6,8-9,12H,7H2,1H3
定義日:2020-09-24
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:N-methyl-1-(1-phenyl-1H-pyrazol-4-yl)methanamine
W24
W24
表記:(2S,3S)-N,2-dimethyl-1-(methylsulfonyl)piperidine-3-carboxamide
組成式:C9 H18 N2 O3 S
SMILES:N1(CCCC(C1C)C(NC)=O)S(C)(=O)=O
InChi:InChI=1S/C9H18N2O3S/c1-7-8(9(12)10-2)5-4-6-11(7)15(3,13)14/h7-8H,4-6H2,1-3H3,(H,10,12)/t7-,8-/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）:(2S,3S)-N,2-dimethyl-1-(methylsulfonyl)piperidine-3-carboxamide
W27
W27
表記:1-[(5S,8R)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[b]pyridin-10-yl]ethan-1-one
組成式:C12 H14 N2 O
SMILES:n1cccc2c1CC3CCC2N3C(=O)C
InChi:InChI=1S/C12H14N2O/c1-8(15)14-9-4-5-12(14)10-3-2-6-13-11(10)7-9/h2-3,6,9,12H,4-5,7H2,1H3/t9-,12+/m1/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）:1-[(5S,8R)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[b]pyridin-10-yl]ethan-1-one
W2M
W2M
表記:(2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one
組成式:C12 H14 N2 O
SMILES:N3C2(Cc1c(cccc1)NC2=O)CCC3
InChi:InChI=1S/C12H14N2O/c15-11-12(6-3-7-13-12)8-9-4-1-2-5-10(9)14-11/h1-2,4-5,13H,3,6-8H2,(H,14,15)/t12-/m1/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）:(2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one
W2S
W2S
表記:(3R,4R)-4-(2-methylphenyl)oxolane-3-carboxylic acid
組成式:C12 H14 O3
SMILES:c1ccc(c(c1)C2C(C(=O)O)COC2)C
InChi:InChI=1S/C12H14O3/c1-8-4-2-3-5-9(8)10-6-15-7-11(10)12(13)14/h2-5,10-11H,6-7H2,1H3,(H,13,14)/t10-,11-/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）:(3R,4R)-4-(2-methylphenyl)oxolane-3-carboxylic acid
W2V
W2V
表記:(3S,4S)-4-(3-methoxyphenyl)oxane-3-carboxylic acid
組成式:C13 H16 O4
SMILES:c2c(C1CCOCC1C(O)=O)cc(cc2)OC
InChi:InChI=1S/C13H16O4/c1-16-10-4-2-3-9(7-10)11-5-6-17-8-12(11)13(14)15/h2-4,7,11-12H,5-6,8H2,1H3,(H,14,15)/t11-,12-/m1/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）:(3S,4S)-4-(3-methoxyphenyl)oxane-3-carboxylic acid
W2Y
W2Y
表記:(2S,3S)-2-methyl-1-(methylsulfonyl)piperidine-3-carboxamide
組成式:C8 H16 N2 O3 S
SMILES:NC(C1CCCN(S(C)(=O)=O)C1C)=O
InChi:InChI=1S/C8H16N2O3S/c1-6-7(8(9)11)4-3-5-10(6)14(2,12)13/h6-7H,3-5H2,1-2H3,(H2,9,11)/t6-,7-/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）:(2S,3S)-2-methyl-1-(methylsulfonyl)piperidine-3-carboxamide
W34
W34
表記:(3R,4S)-4-(3-methoxyphenyl)oxan-3-amine
組成式:C12 H17 N O2
SMILES:C1(C(N)COCC1)c2cccc(c2)OC
InChi:InChI=1S/C12H17NO2/c1-14-10-4-2-3-9(7-10)11-5-6-15-8-12(11)13/h2-4,7,11-12H,5-6,8,13H2,1H3/t11-,12-/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）:(3R,4S)-4-(3-methoxyphenyl)oxan-3-amine
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
W44
W44
表記:(2S,5R,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:N3C4Cc2c1c(cccc1)n(c2C(C(C3)O)C4)C
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:2020-09-24
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:(2S,5R,6R)-7-methyl-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol
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

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件を2024-07-17に公開中

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