HCID86677342

4-Methoxy-N-[4-(1-methylindol-3-yl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)benzene-1,3-diamine

4-methoxy-1-N-[4-(1-methylindol-3-yl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)benzene-1,3-diamine

C25H29N7O443.5 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1cc(N2CCN(C)CC2)c(Nc2nccc(-c3cn(C)c4ccccc34)n2)cc1N
InChIKey: MWNXHYIQGOPYBN-UHFFFAOYSA-N
分子式: C25H29N7O
平均分子量: 443.5 g/mol
单同位素质量: 443.24335857

COMPUTED

结构计算性质

已同步

XLogP: 3
极性表面积: 84.5 Å²
氢键供体: 2
氢键受体: 7
可旋转键: 5
重原子: 33
形式电荷: 0
复杂度: 630

ALIASES

名称与别名

共 4 条

SCHEMBL14719016SCHEMBL31367926MWNXHYIQGOPYBN-UHFFFAOYSA-N4-Methoxy-N-[4-(1-methylindol-3-yl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)benzene-1,3-diamine

REACTIONS

参与反应

1 条

uspto-grants-2015_02 · 10.6084/m9.figshare.5104873.v1 · US08946235B2

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