Chem
J-GLOBAL ID:201307099385699300
Nikkaji number:J3.146.978C
AT-13387
オナレスピブ
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C24 H31 N3 O3
Molecular formula furigana:
C24-H31-N3-O3
Molecular weight:
409.530
InChI:
InChI=1S/C24H31N3O3/c1-16(2)20-11-21(23(29)12-22(20)28)24(30)27-14-18-5-4-17(10-19(18)15-27)13-26-8-6-25(3)7-9-26/h4-5,10-12,16,28-29H,6-9,13-15H2,1-3H3
InChI key:
IFRGXKKQHBVPCQ-UHFFFAOYSA-N
SMILES:
CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O
Systematic name (4):
4-[5-(4-メチルピペラジノメチル)イソインドリン-2-イルカルボニル]-6-イソプロピルレソルシノール
α-[5-(4-メチルピペラジノメチル)イソインドリン-2-イル]-2,4-ジヒドロキシ-5-イソプロピルベンズアルデヒド
4-{5-[(4-メチルピペラジン-1-イル)メチル]-2,3-ジヒドロ-1H-イソインドール-2-カルボニル}-6-(プロパン-2-イル)ベンゼン-1,3-ジオール
4-{5-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole-2-carbonyl}-6-(propan-2-yl)benzene-1,3-diol
Other name (5):
4-[5-(4-Methylpiperazinomethyl)isoindoline-2-ylcarbonyl]-6-isopropylresorcinol
AT-13387
α-[5-(4-Methylpiperazinomethyl)isoindoline-2-yl]-2,4-dihydroxy-5-isopropylbenzaldehyde
オナレスピブ
Onalespib
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