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IU8
IU8
表記:1-{4-[3-(trifluoromethyl)anilino]-2H-isoindol-2-yl}propan-1-one
組成式:C18 H15 F3 N2 O
SMILES:FC(F)(F)c1cc(ccc1)Nc1cccc2cn(cc21)C(=O)CC
InChi:InChI=1S/C18H15F3N2O/c1-2-17(24)23-10-12-5-3-8-16(15(12)11-23)22-14-7-4-6-13(9-14)18(19,20)21/h3-11,22H,2H2,1H3
別名:1-{4-[3-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindol-2-yl}prop-2-en-1-one, bound form
定義日:2022-01-28
最終更新日:2025-08-29
公開日:2025-09-03
識別子（ID）:1-{4-[3-(trifluoromethyl)anilino]-2H-isoindol-2-yl}propan-1-one
000
000
表記:methyl hydrogen carbonate
組成式:C2 H4 O3
SMILES:O=C(O)OC
InChi:InChI=1S/C2H4O3/c1-5-2(3)4/h1H3,(H,3,4)
定義日:2010-04-27
最終更新日:2025-08-29
識別子（ID）:methyl hydrogen carbonate
A1A3B
A1A3B
表記:{[6-fluoro-1-methyl-2-oxo-7-(pyrrolidin-1-yl)-1,2-dihydroquinolin-4-yl]methyl}phosphonic acid
組成式:C15 H18 F N2 O4 P
SMILES:O=P(O)(O)CC1=CC(=O)N(C)c2cc(c(F)cc21)N1CCCC1
InChi:InChI=1S/C15H18FN2O4P/c1-17-13-8-14(18-4-2-3-5-18)12(16)7-11(13)10(6-15(17)19)9-23(20,21)22/h6-8H,2-5,9H2,1H3,(H2,20,21,22)
定義日:2024-08-23
最終更新日:2025-08-29
公開日:2025-09-03
識別子（ID）:{[6-fluoro-1-methyl-2-oxo-7-(pyrrolidin-1-yl)-1,2-dihydroquinolin-4-yl]methyl}phosphonic acid
A1BI8
A1BI8
表記:1-[2-chloro-5-(2,6-dimethyl-4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methoxy}benzamido)phenyl]cyclopropane-1-carboxylic acid
組成式:C29 H29 Cl N2 O5
SMILES:O=C(O)C1(CC1)c1cc(ccc1Cl)NC(=O)c1c(C)cc(cc1C)OCC1CN(C)c2ccccc2O1
InChi:InChI=1S/C29H29ClN2O5/c1-17-12-20(36-16-21-15-32(3)24-6-4-5-7-25(24)37-21)13-18(2)26(17)27(33)31-19-8-9-23(30)22(14-19)29(10-11-29)28(34)35/h4-9,12-14,21H,10-11,15-16H2,1-3H3,(H,31,33)(H,34,35)/t21-/m0/s1
定義日:2024-12-05
最終更新日:2025-08-29
公開日:2025-09-03
識別子（ID）:1-[2-chloro-5-(2,6-dimethyl-4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methoxy}benzamido)phenyl]cyclopropane-1-carboxylic acid
A1BLZ
A1BLZ
表記:2-methyl-N-(2-{[2-(trifluoromethyl)phenyl]sulfanyl}ethyl)-2-[5-(trifluoromethyl)pyridine-2-sulfonyl]propanamide
組成式:C19 H18 F6 N2 O3 S2
SMILES:O=S(=O)(c1ccc(cn1)C(F)(F)F)C(C)(C)C(=O)NCCSc1ccccc1C(F)(F)F
InChi:InChI=1S/C19H18F6N2O3S2/c1-17(2,32(29,30)15-8-7-12(11-27-15)18(20,21)22)16(28)26-9-10-31-14-6-4-3-5-13(14)19(23,24)25/h3-8,11H,9-10H2,1-2H3,(H,26,28)
定義日:2024-12-17
最終更新日:2025-08-29
公開日:2025-09-03
識別子（ID）:2-methyl-N-(2-{[2-(trifluoromethyl)phenyl]sulfanyl}ethyl)-2-[5-(trifluoromethyl)pyridine-2-sulfonyl]propanamide
SEP
SEP
表記:PHOSPHOSERINE
組成式:C3 H8 N O6 P
SMILES:O=P(O)(O)OCC(C(=O)O)N
InChi:InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1
別名:PHOSPHONOSERINE
定義日:1999-07-08
最終更新日:2025-08-24
識別子（ID）:O-phosphono-L-serine
A1ED4
A1ED4
表記:3H-benzimidazol-5-ylmethanol
組成式:C8 H8 N2 O
SMILES:OCc1ccc2nc[nH]c2c1
InChi:InChI=1S/C8H8N2O/c11-4-6-1-2-7-8(3-6)10-5-9-7/h1-3,5,11H,4H2,(H,9,10)
別名:1H-benzimidazol-5-ylmethanol
定義日:2024-10-17
最終更新日:2025-08-22
公開日:2025-08-27
識別子（ID）:3~{H}-benzimidazol-5-ylmethanol
A1ED7
A1ED7
表記:1,3,4-thiadiazol-2-amine
組成式:C2 H3 N3 S
SMILES:Nc1scnn1
InChi:InChI=1S/C2H3N3S/c3-2-5-4-1-6-2/h1H,(H2,3,5)
別名:Aminothiadiazole
定義日:2024-10-18
最終更新日:2025-08-22
公開日:2025-08-27
識別子（ID）:1,3,4-thiadiazol-2-amine
A1ED8
A1ED8
表記:2-(4-hydroxyphenyl)ethanamide
組成式:C8 H9 N O2
SMILES:NC(=O)Cc1ccc(O)cc1
InChi:InChI=1S/C8H9NO2/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4,10H,5H2,(H2,9,11)
別名:4-Hydroxyphenylacetamide
定義日:2024-10-18
最終更新日:2025-08-22
公開日:2025-08-27
識別子（ID）:2-(4-hydroxyphenyl)ethanamide
A1ED9
A1ED9
表記:1-(1H-pyrrol-3-yl)ethanone
組成式:C6 H7 N O
SMILES:CC(=O)c1c[nH]cc1
InChi:InChI=1S/C6H7NO/c1-5(8)6-2-3-7-4-6/h2-4,7H,1H3
別名:3-Acetylpyrrole
定義日:2024-10-18
最終更新日:2025-08-22
公開日:2025-08-27
識別子（ID）:1-(1~{H}-pyrrol-3-yl)ethanone
A1EDY
A1EDY
表記:2-(4-aminophenyl)ethanoic acid
組成式:C8 H9 N O2
SMILES:Nc1ccc(CC(O)=O)cc1
InChi:InChI=1S/C8H9NO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5,9H2,(H,10,11)
別名:4-Aminophenylacetic acid
定義日:2024-10-17
最終更新日:2025-08-22
公開日:2025-08-27
識別子（ID）:2-(4-aminophenyl)ethanoic acid
A1EDZ
A1EDZ
表記:4-oxidanylidene-4-thiophen-2-yl-butanoic acid
組成式:C8 H8 O3 S
SMILES:OC(=O)CCC(=O)c1sccc1
InChi:InChI=1S/C8H8O3S/c9-6(3-4-8(10)11)7-2-1-5-12-7/h1-2,5H,3-4H2,(H,10,11)
別名:3-(2-Thenoyl)propionic acid
定義日:2024-10-17
最終更新日:2025-08-22
公開日:2025-08-27
識別子（ID）:4-oxidanylidene-4-thiophen-2-yl-butanoic acid
A1EEA
A1EEA
表記:1,3-dimethylimidazolidin-2-one
組成式:C5 H10 N2 O
SMILES:CN1CCN(C)C1=O
InChi:InChI=1S/C5H10N2O/c1-6-3-4-7(2)5(6)8/h3-4H2,1-2H3
別名:1,3-Dimethyl-2-imidazolidinone
定義日:2024-10-18
最終更新日:2025-08-22
公開日:2025-08-27
識別子（ID）:1,3-dimethylimidazolidin-2-one
A1EFA
A1EFA
表記:6-Quinolinylmethanol
組成式:C10 H9 N O
SMILES:OCc1ccc2ncccc2c1
InChi:InChI=1S/C10H9NO/c12-7-8-3-4-10-9(6-8)2-1-5-11-10/h1-6,12H,7H2
定義日:2024-11-08
最終更新日:2025-08-22
公開日:2025-08-27
識別子（ID）:quinolin-6-ylmethanol
A1EFB
A1EFB
表記:3-(4-methylpiperazin-1-yl)aniline
組成式:C11 H17 N3
SMILES:CN1CCN(CC1)c2cccc(N)c2
InChi:InChI=1S/C11H17N3/c1-13-5-7-14(8-6-13)11-4-2-3-10(12)9-11/h2-4,9H,5-8,12H2,1H3
別名:148546-99-0
定義日:2024-11-08
最終更新日:2025-08-22
公開日:2025-08-27
識別子（ID）:3-(4-methylpiperazin-1-yl)aniline
A1EFE
A1EFE
表記:2,1,3-benzothiadiazol-5-ylmethanol
組成式:C7 H6 N2 O S
SMILES:OCc1ccc2nsnc2c1
InChi:InChI=1S/C7H6N2OS/c10-4-5-1-2-6-7(3-5)9-11-8-6/h1-3,10H,4H2
別名:89795-51-7
定義日:2024-11-08
最終更新日:2025-08-22
公開日:2025-08-27
識別子（ID）:2,1,3-benzothiadiazol-5-ylmethanol
A1EFF
A1EFF
表記:(2,5-dimethylpyrazol-3-yl)methanol
組成式:C6 H10 N2 O
SMILES:Cn1nc(C)cc1CO
InChi:InChI=1S/C6H10N2O/c1-5-3-6(4-9)8(2)7-5/h3,9H,4H2,1-2H3
別名:57012-20-1
定義日:2024-11-08
最終更新日:2025-08-22
公開日:2025-08-27
識別子（ID）:(2,5-dimethylpyrazol-3-yl)methanol
A1EHQ
A1EHQ
表記:2-phenoxyethanamine
組成式:C8 H11 N O
SMILES:NCCOc1ccccc1
InChi:InChI=1S/C8H11NO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7,9H2
定義日:2024-12-11
最終更新日:2025-08-22
公開日:2025-08-27
識別子（ID）:2-phenoxyethanamine
A1EHR
A1EHR
表記:5-methyl-1,2-oxazole-3-carbohydrazide
組成式:C5 H7 N3 O2
SMILES:Cc1onc(c1)C(=O)NN
InChi:InChI=1S/C5H7N3O2/c1-3-2-4(8-10-3)5(9)7-6/h2H,6H2,1H3,(H,7,9)
定義日:2024-12-11
最終更新日:2025-08-22
公開日:2025-08-27
識別子（ID）:5-methyl-1,2-oxazole-3-carbohydrazide
A1EHY
A1EHY
表記:2-(2-methylimidazol-1-yl)aniline
組成式:C10 H11 N3
SMILES:Cc1nccn1c2ccccc2N
InChi:InChI=1S/C10H11N3/c1-8-12-6-7-13(8)10-5-3-2-4-9(10)11/h2-7H,11H2,1H3
定義日:2024-12-15
最終更新日:2025-08-22
公開日:2025-08-27
識別子（ID）:2-(2-methylimidazol-1-yl)aniline
A1ERZ
A1ERZ
表記:(1~{S})-1-(1~{H}-benzimidazol-2-yl)ethanol
組成式:C9 H10 N2 O
SMILES:C[CH](O)c1[nH]c2ccccc2n1
InChi:InChI=1S/C9H10N2O/c1-6(12)9-10-7-4-2-3-5-8(7)11-9/h2-6,12H,1H3,(H,10,11)/t6-/m0/s1
定義日:2025-06-16
最終更新日:2025-08-22
公開日:2025-08-27
識別子（ID）:(1~{S})-1-(1~{H}-benzimidazol-2-yl)ethanol
A1EVL
A1EVL
表記:(3S,11R)-tetracyclo[6.3.0.02,6.05,9]undecane-3,11-diol
組成式:C11 H16 O2
SMILES:O[CH]1C[CH]2[CH]3C[CH](O)[CH]4[CH]3C[CH]2[CH]14
InChi:InChI=1S/C11H16O2/c12-8-2-4-5-3-9(13)11-7(5)1-6(4)10(8)11/h4-13H,1-3H2/t4-,5+,6+,7-,8-,9+,10+,11-
定義日:2025-08-13
最終更新日:2025-08-22
公開日:2025-08-27
A1I4U
A1I4U
表記:Deoxynivalenol-13-glutathione
組成式:C25 H37 N3 O12 S
SMILES:CC1=C[CH]2O[CH]3[CH](O)C[C](C)([C]3(O)CSC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O)[C]24CO[C]1(O)[CH]4O
InChi:InChI=1S/C25H37N3O12S/c1-11-5-15-23(9-39-25(11,38)21(23)36)22(2)6-14(29)18(40-15)24(22,37)10-41-8-13(19(33)27-7-17(31)32)28-16(30)4-3-12(26)20(34)35/h5,12-15,18,21,29,36-38H,3-4,6-10,26H2,1-2H3,(H,27,33)(H,28,30)(H,31,32)(H,34,35)/t12-,13-,14+,15+,18+,21-,22+,23+,24-,25+/m0/s1
定義日:2025-02-26
最終更新日:2025-08-22
公開日:2025-08-27
A1I5T
A1I5T
表記:~{N}-methyl-~{N}-[(1~{R})-1-pyridin-2-yl-3-pyrrolidin-1-yl-propyl]-5-[4,5,6,7-tetrakis(fluoranyl)-1~{H}-indol-3-yl]-1,3,4-oxadiazol-2-amine
組成式:C23 H22 F4 N6 O
SMILES:CN([CH](CCN1CCCC1)c2ccccn2)c3oc(nn3)c4c[nH]c5c(F)c(F)c(F)c(F)c45
InChi:InChI=1S/C23H22F4N6O/c1-32(15(14-6-2-3-8-28-14)7-11-33-9-4-5-10-33)23-31-30-22(34-23)13-12-29-21-16(13)17(24)18(25)19(26)20(21)27/h2-3,6,8,12,15,29H,4-5,7,9-11H2,1H3/t15-/m1/s1
定義日:2025-03-11
最終更新日:2025-08-22
公開日:2025-08-27
識別子（ID）:~{N}-methyl-~{N}-[(1~{R})-1-pyridin-2-yl-3-pyrrolidin-1-yl-propyl]-5-[4,5,6,7-tetrakis(fluoranyl)-1~{H}-indol-3-yl]-1,3,4-oxadiazol-2-amine
A1I6I
A1I6I
表記:~{N},~{N}-dimethyl-1-[(3~{S})-1-[[4,5,6,7-tetrakis(fluoranyl)-1~{H}-indol-3-yl]carbonyl]piperidin-3-yl]methanesulfonamide
組成式:C17 H19 F4 N3 O3 S
SMILES:CN(C)[S](=O)(=O)C[CH]1CCCN(C1)C(=O)c2c[nH]c3c(F)c(F)c(F)c(F)c23
InChi:InChI=1S/C17H19F4N3O3S/c1-23(2)28(26,27)8-9-4-3-5-24(7-9)17(25)10-6-22-16-11(10)12(18)13(19)14(20)15(16)21/h6,9,22H,3-5,7-8H2,1-2H3/t9-/m0/s1
定義日:2025-03-18
最終更新日:2025-08-22
公開日:2025-08-27
識別子（ID）:~{N},~{N}-dimethyl-1-[(3~{S})-1-[[4,5,6,7-tetrakis(fluoranyl)-1~{H}-indol-3-yl]carbonyl]piperidin-3-yl]methanesulfonamide

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件を2025-10-22に公開中

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