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A1A5V
A1A5V
表記:(4S)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-1-(propan-2-yl)-1H-imidazo[1,2-b]pyrazol-6-amine
組成式:C19 H27 N7 O
SMILES:COC1CCN(CC1)c1nccc(Nc2cc3n(c(C)cn3n2)C(C)C)n1
InChi:InChI=1S/C19H27N7O/c1-13(2)26-14(3)12-25-18(26)11-17(23-25)21-16-5-8-20-19(22-16)24-9-6-15(27-4)7-10-24/h5,8,11-13,15H,6-7,9-10H2,1-4H3,(H,20,21,22,23)
別名:AUR-3418
定義日:2024-09-10
最終更新日:2025-02-28
公開日:2025-03-05
識別子（ID）:(4S)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-1-(propan-2-yl)-1H-imidazo[1,2-b]pyrazol-6-amine
A1BNN
A1BNN
表記:N-phenyl-6-selanylhexanamide
組成式:C12 H17 N O Se
SMILES:O=C(Nc1ccccc1)CCCCC[SeH]
InChi:InChI=1S/C12H17NOSe/c14-12(9-5-2-6-10-15)13-11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,13,14)
定義日:2025-01-06
最終更新日:2025-02-28
公開日:2025-03-05
識別子（ID）:N-phenyl-6-selanylhexanamide
A1BRA
A1BRA
表記:5-[(3-chlorobenzene-1-sulfonyl)methoxy]-6-methyl-N-[(pyridin-3-yl)methyl]pyrazine-2-carboxamide
組成式:C19 H17 Cl N4 O4 S
SMILES:Clc1cccc(c1)S(=O)(=O)COc1ncc(nc1C)C(=O)NCc1cccnc1
InChi:InChI=1S/C19H17ClN4O4S/c1-13-19(28-12-29(26,27)16-6-2-5-15(20)8-16)23-11-17(24-13)18(25)22-10-14-4-3-7-21-9-14/h2-9,11H,10,12H2,1H3,(H,22,25)
定義日:2025-01-14
最終更新日:2025-02-28
公開日:2025-03-05
識別子（ID）:5-[(3-chlorobenzene-1-sulfonyl)methoxy]-6-methyl-N-[(pyridin-3-yl)methyl]pyrazine-2-carboxamide
A1BRB
A1BRB
表記:5-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-N-[1-(pyrazin-2-yl)cyclopropyl]pyrazine-2-carboxamide
組成式:C20 H16 Cl F2 N5 O2
SMILES:Clc1cccc(c1)C(F)(F)COc1cnc(cn1)C(=O)NC1(CC1)c1cnccn1
InChi:InChI=1S/C20H16ClF2N5O2/c21-14-3-1-2-13(8-14)20(22,23)12-30-17-11-26-15(9-27-17)18(29)28-19(4-5-19)16-10-24-6-7-25-16/h1-3,6-11H,4-5,12H2,(H,28,29)
定義日:2025-01-14
最終更新日:2025-02-28
公開日:2025-03-05
識別子（ID）:5-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-N-[1-(pyrazin-2-yl)cyclopropyl]pyrazine-2-carboxamide
A1BXE
A1BXE
表記:N-(5-amino-2-methylphenyl)-3-methylbenzamide
組成式:C15 H16 N2 O
SMILES:O=C(Nc1cc(N)ccc1C)c1cccc(C)c1
InChi:InChI=1S/C15H16N2O/c1-10-4-3-5-12(8-10)15(18)17-14-9-13(16)7-6-11(14)2/h3-9H,16H2,1-2H3,(H,17,18)
定義日:2025-02-20
最終更新日:2025-02-28
公開日:2025-03-05
識別子（ID）:N-(5-amino-2-methylphenyl)-3-methylbenzamide
A1BXF
A1BXF
表記:7,8-dichloro-2-methylquinolin-4-amine
組成式:C10 H8 Cl2 N2
SMILES:Clc1c(Cl)ccc2c(N)cc(C)nc12
InChi:InChI=1S/C10H8Cl2N2/c1-5-4-8(13)6-2-3-7(11)9(12)10(6)14-5/h2-4H,1H3,(H2,13,14)
定義日:2025-02-20
最終更新日:2025-02-28
公開日:2025-03-05
識別子（ID）:7,8-dichloro-2-methylquinolin-4-amine
A1BXQ
A1BXQ
表記:[(3R)-3-aminopyrrolidin-1-yl](2-{[4-(hydroxymethyl)-2-methylquinolin-8-yl]methyl}phenyl)methanone
組成式:C23 H25 N3 O2
SMILES:NC1CCN(C1)C(=O)c1ccccc1Cc1cccc2c1nc(C)cc2CO
InChi:InChI=1S/C23H25N3O2/c1-15-11-18(14-27)20-8-4-6-17(22(20)25-15)12-16-5-2-3-7-21(16)23(28)26-10-9-19(24)13-26/h2-8,11,19,27H,9-10,12-14,24H2,1H3/t19-/m1/s1
定義日:2025-02-20
最終更新日:2025-02-28
公開日:2025-03-05
識別子（ID）:[(3R)-3-aminopyrrolidin-1-yl](2-{[4-(hydroxymethyl)-2-methylquinolin-8-yl]methyl}phenyl)methanone
A1BXR
A1BXR
表記:1-[(3R)-3-aminopyrrolidin-1-yl]-2-[4-(hydroxymethyl)-2-methylquinolin-8-yl]ethan-1-one
組成式:C17 H21 N3 O2
SMILES:NC1CCN(C1)C(=O)Cc1cccc2c1nc(C)cc2CO
InChi:InChI=1S/C17H21N3O2/c1-11-7-13(10-21)15-4-2-3-12(17(15)19-11)8-16(22)20-6-5-14(18)9-20/h2-4,7,14,21H,5-6,8-10,18H2,1H3/t14-/m1/s1
定義日:2025-02-20
最終更新日:2025-02-28
公開日:2025-03-05
識別子（ID）:1-[(3R)-3-aminopyrrolidin-1-yl]-2-[4-(hydroxymethyl)-2-methylquinolin-8-yl]ethan-1-one
A1BXS
A1BXS
表記:1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-[4-(hydroxymethyl)-2-methylquinolin-8-yl]ethan-1-one
組成式:C18 H23 N3 O2
SMILES:NCC1CCN(C1)C(=O)Cc1cccc2c1nc(C)cc2CO
InChi:InChI=1S/C18H23N3O2/c1-12-7-15(11-22)16-4-2-3-14(18(16)20-12)8-17(23)21-6-5-13(9-19)10-21/h2-4,7,13,22H,5-6,8-11,19H2,1H3/t13-/m0/s1
定義日:2025-02-20
最終更新日:2025-02-28
公開日:2025-03-05
識別子（ID）:1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-[4-(hydroxymethyl)-2-methylquinolin-8-yl]ethan-1-one
A1BXV
A1BXV
表記:N-[4-(hydroxymethyl)-2-methylquinolin-8-yl]-3-(piperidin-4-yl)propanamide
組成式:C19 H25 N3 O2
SMILES:Cc1nc2c(cccc2NC(=O)CCC2CCNCC2)c(CO)c1
InChi:InChI=1S/C19H25N3O2/c1-13-11-15(12-23)16-3-2-4-17(19(16)21-13)22-18(24)6-5-14-7-9-20-10-8-14/h2-4,11,14,20,23H,5-10,12H2,1H3,(H,22,24)
定義日:2025-02-20
最終更新日:2025-02-28
公開日:2025-03-05
識別子（ID）:N-[4-(hydroxymethyl)-2-methylquinolin-8-yl]-3-(piperidin-4-yl)propanamide
ED6
ED6
表記:6-deoxy-1-O-phosphono-beta-L-galactopyranose
組成式:C6 H13 O8 P
SMILES:OP(O)(OC1OC(C)C(O)C(O)C1O)=O
InChi:InChI=1S/C6H13O8P/c1-2-3(7)4(8)5(9)6(13-2)14-15(10,11)12/h2-9H,1H3,(H2,10,11,12)/t2-,3+,4+,5-,6+/m0/s1
定義日:2019-12-11
最終更新日:2025-02-28
公開日:2025-03-05
識別子（ID）:6-deoxy-1-O-phosphono-beta-L-galactopyranose
A1L0Q
A1L0Q
表記:(2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-[4-[5-chloranyl-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,5-diol
組成式:C24 H19 Cl2 F5 N6 O4
SMILES:Cc1nnc([CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4cc(F)c(Cl)c(F)c4)n1c5cc(Cl)ccc5C(F)(F)F
InChi:InChI=1S/C24H19Cl2F5N6O4/c1-9-32-34-23(37(9)16-6-11(25)2-3-12(16)24(29,30)31)22-21(40)19(20(39)17(8-38)41-22)36-7-15(33-35-36)10-4-13(27)18(26)14(28)5-10/h2-7,17,19-22,38-40H,8H2,1H3/t17-,19+,20+,21-,22-/m1/s1
定義日:2024-04-18
最終更新日:2025-02-28
公開日:2025-03-05
識別子（ID）:(2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-[4-[5-chloranyl-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,5-diol
A1L0R
A1L0R
表記:5-[(2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-bromanyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]-4-[5-chloranyl-2-(trifluoromethyl)phenyl]-2-methyl-1,2,4-triazole-3-thione
組成式:C24 H19 Br Cl F5 N6 O4 S
SMILES:CN1N=C([CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4ccc(Br)c(F)c4F)N(C1=S)c5cc(Cl)ccc5C(F)(F)F
InChi:InChI=1S/C24H19BrClF5N6O4S/c1-35-23(42)37(14-6-9(26)2-4-11(14)24(29,30)31)22(33-35)21-20(40)18(19(39)15(8-38)41-21)36-7-13(32-34-36)10-3-5-12(25)17(28)16(10)27/h2-7,15,18-21,38-40H,8H2,1H3/t15-,18+,19+,20-,21-/m1/s1
定義日:2024-04-18
最終更新日:2025-02-28
公開日:2025-03-05
識別子（ID）:5-[(2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-bromanyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]-4-[5-chloranyl-2-(trifluoromethyl)phenyl]-2-methyl-1,2,4-triazole-3-thione
A1L54
A1L54
表記:Coumarin 153
組成式:C16 H14 F3 N O2
SMILES:FC(F)(F)C1=CC(=O)Oc2c3CCCN4CCCc(cc12)c34
InChi:InChI=1S/C16H14F3NO2/c17-16(18,19)12-8-13(21)22-15-10-4-2-6-20-5-1-3-9(14(10)20)7-11(12)15/h7-8H,1-6H2
別名:6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2(7),5,8-tetraen-4-one
定義日:2024-11-19
最終更新日:2025-02-28
公開日:2025-03-05
識別子（ID）:6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2(7),5,8-tetraen-4-one
A1H4V
A1H4V
表記:(2~{R},4~{R})-5,5-dimethyl-2-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-1,3-thiazolidine-4-carboxylic acid
組成式:C13 H19 N2 O7 P S
SMILES:Cc1ncc(CO[P](O)(O)=O)c([CH]2N[CH](C(O)=O)C(C)(C)S2)c1O
InChi:InChI=1S/C13H19N2O7PS/c1-6-9(16)8(7(4-14-6)5-22-23(19,20)21)11-15-10(12(17)18)13(2,3)24-11/h4,10-11,15-16H,5H2,1-3H3,(H,17,18)(H2,19,20,21)/t10-,11-/m1/s1
定義日:2024-02-19
最終更新日:2025-02-28
公開日:2025-03-05
識別子（ID）:(2~{R},4~{R})-5,5-dimethyl-2-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-1,3-thiazolidine-4-carboxylic acid
A1H5F
A1H5F
表記:2-chloranyl-1-[8-[3-fluoranyl-4-(trifluoromethyl)phenyl]sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]ethanone
組成式:C15 H15 Cl F4 N2 O4 S
SMILES:Fc1cc(ccc1C(F)(F)F)[S](=O)(=O)N2CCOC3(CN(C3)C(=O)CCl)C2
InChi:InChI=1S/C15H15ClF4N2O4S/c16-6-13(23)21-7-14(8-21)9-22(3-4-26-14)27(24,25)10-1-2-11(12(17)5-10)15(18,19)20/h1-2,5H,3-4,6-9H2
定義日:2024-02-28
最終更新日:2025-02-28
公開日:2025-03-05
識別子（ID）:2-chloranyl-1-[8-[3-fluoranyl-4-(trifluoromethyl)phenyl]sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]ethanone
A1H6R
A1H6R
表記:(~{S})-[(7~{a}~{R})-2-cyclopentyl-5,6,7,7~{a}-tetrahydroimidazo[5,1-b][1,3]thiazol-3-yl]-cyclohexyl-methanol
組成式:C17 H28 N2 O S
SMILES:O[CH](C1CCCCC1)C2=C(S[CH]3CNCN23)C4CCCC4
InChi:InChI=1S/C17H28N2OS/c20-16(12-6-2-1-3-7-12)15-17(13-8-4-5-9-13)21-14-10-18-11-19(14)15/h12-14,16,18,20H,1-11H2/t14-,16+/m1/s1
定義日:2024-03-26
最終更新日:2025-02-28
公開日:2025-03-05
識別子（ID）:(~{S})-[(7~{a}~{R})-2-cyclopentyl-5,6,7,7~{a}-tetrahydroimidazo[5,1-b][1,3]thiazol-3-yl]-cyclohexyl-methanol
A1H6U
A1H6U
表記:(~{S})-cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanol
組成式:C14 H18 N2 O
SMILES:O[CH](C1CCCCC1)c2cccc3cncn23
InChi:InChI=1S/C14H18N2O/c17-14(11-5-2-1-3-6-11)13-8-4-7-12-9-15-10-16(12)13/h4,7-11,14,17H,1-3,5-6H2
定義日:2024-03-26
最終更新日:2025-02-28
公開日:2025-03-05
識別子（ID）:(~{S})-cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanol
A1H6V
A1H6V
表記:(~{R})-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(1~{H}-indol-5-yl)-1,2,3-triazol-4-yl]methanol
組成式:C19 H16 N6 O S
SMILES:O[CH](c1cn(nn1)c2ccc3[nH]ccc3c2)c4n5cncc5sc4C6CC6
InChi:InChI=1S/C19H16N6OS/c26-18(17-19(11-1-2-11)27-16-8-20-10-24(16)17)15-9-25(23-22-15)13-3-4-14-12(7-13)5-6-21-14/h3-11,18,21,26H,1-2H2/t18-/m1/s1
定義日:2024-03-26
最終更新日:2025-02-28
公開日:2025-03-05
識別子（ID）:(~{R})-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(1~{H}-indol-5-yl)-1,2,3-triazol-4-yl]methanol
WKO
WKO
表記:2-O-acetyl-beta-D-xylopyranose
組成式:C7 H12 O6
SMILES:OC1OCC(O)C(O)C1OC(C)=O
InChi:InChI=1S/C7H12O6/c1-3(8)13-6-5(10)4(9)2-12-7(6)11/h4-7,9-11H,2H2,1H3/t4-,5+,6-,7-/m1/s1
定義日:2023-10-06
最終更新日:2025-02-24
公開日:2025-02-24
識別子（ID）:2-O-acetyl-beta-D-xylopyranose
WKT
WKT
表記:3-O-acetyl-beta-D-xylopyranose
組成式:C7 H12 O6
SMILES:OC1C(OC(C)=O)C(O)COC1O
InChi:InChI=1S/C7H12O6/c1-3(8)13-6-4(9)2-12-7(11)5(6)10/h4-7,9-11H,2H2,1H3/t4-,5-,6+,7-/m1/s1
定義日:2023-10-06
最終更新日:2025-02-24
公開日:2025-02-24
識別子（ID）:3-O-acetyl-beta-D-xylopyranose
WL2
WL2
表記:(1S)-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
組成式:C10 H14 O4
SMILES:Oc1ccc(cc1OC)C(O)CCO
InChi:InChI=1S/C10H14O4/c1-14-10-6-7(2-3-9(10)13)8(12)4-5-11/h2-3,6,8,11-13H,4-5H2,1H3/t8-/m0/s1
定義日:2023-10-06
最終更新日:2025-02-24
公開日:2025-02-24
識別子（ID）:(1S)-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
WL8
WL8
表記:(1R)-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
組成式:C10 H14 O4
SMILES:Oc1ccc(cc1OC)C(O)CCO
InChi:InChI=1S/C10H14O4/c1-14-10-6-7(2-3-9(10)13)8(12)4-5-11/h2-3,6,8,11-13H,4-5H2,1H3/t8-/m1/s1
定義日:2023-10-06
最終更新日:2025-02-24
公開日:2025-02-24
識別子（ID）:(1R)-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
WLC
WLC
表記:(1S)-1-[(2R,3S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propane-1,3-diol
組成式:C21 H26 O8
SMILES:OCCC(O)c1cc2c(OC(C2CO)c2cc(OC)c(O)c(OC)c2)c(c1)OC
InChi:InChI=1S/C21H26O8/c1-26-16-8-12(9-17(27-2)19(16)25)20-14(10-23)13-6-11(15(24)4-5-22)7-18(28-3)21(13)29-20/h6-9,14-15,20,22-25H,4-5,10H2,1-3H3/t14-,15+,20+/m1/s1
定義日:2023-10-06
最終更新日:2025-02-24
公開日:2025-02-24
識別子（ID）:(1S)-1-[(2R,3S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propane-1,3-diol
WLI
WLI
表記:4,4'-[(1S,3aR,4S,6aS)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis(2,6-dimethoxyphenol)
組成式:C22 H26 O8
SMILES:COc1cc(cc(OC)c1O)C1OCC2C1COC2c1cc(OC)c(O)c(OC)c1
InChi:InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14+,21-,22-/m1/s1
定義日:2023-10-06
最終更新日:2025-02-24
公開日:2025-02-24
識別子（ID）:4,4'-[(1S,3aR,4S,6aS)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis(2,6-dimethoxyphenol)

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件を2025-07-02に公開中

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