A-420983 (HCID 9549183)

基本情報

標準SMILES: COc1cc(-c2nn(C3CCC(N4CCN(C)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C
InChIKey: STVKLDUINKMZFE-UHFFFAOYSA-N
分子式: C33H39N9O2
平均分子量: 593.7 g/mol

名称と識別子

優先名称: A-420983
IUPAC: N-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide

名称と別名

A-420983RefChem:914837CHEMBL314627N-(4-{4-Amino-1-[4-(4-Methylpiperazin-1-Yl)-Trans-Cyclohexyl]-1h-Pyrazolo[3,4-D]pyrimidin-3-Yl}-2-Methoxyphenyl)-1-Methyl-1h-Indole-2-CarboxamideN-(4-{4-amino-1-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamideN-[4-[4-Amino-1-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methyl-1H-indole-2-carboxamideorb1740049SCHEMBL5803074SCHEMBL6221049SCHEMBL14106773SCHEMBL16752208SCHEMBL19999345

名称をさらに表示

SCHEMBL29457687SCHEMBL30521863SCHEMBL31061271STVKLDUINKMZFE-PSWAGMNNSA-NSTVKLDUINKMZFE-RQNOJGIXSA-NGLXC-22213BDBM50145571L1G

データベース識別子

PubChem CID: 9549183
ChEMBL: CHEMBL314627

物性

構造計算による物性

XLogP: 3.8
極性表面積: 119 Å²
水素結合供与体数: 2
水素結合受容体数: 8
回転可能結合数: 6
重原子数: 44
形式電荷: 0
複雑度: 973

化合物ノート

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