HCID59606053

4-((2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)-1-isopropylpiperazin-2-one

4-[[2-(2-ethylbenzimidazol-1-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl]-1-propan-2-ylpiperazin-2-one

C27H35N9O2517.6 g/mol

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IDENTITY

结构与身份

标准SMILES: CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCN(C(C)C)C(=O)C3)n(C)c2n1
InChIKey: BUMCYRKWGZPFGX-UHFFFAOYSA-N
分子式: C27H35N9O2
平均分子量: 517.6 g/mol
单同位素质量: 517.29137139

COMPUTED

结构计算性质

已同步

XLogP: 2.5
极性表面积: 97.4 Å²
氢键供体: 0
氢键受体: 8
可旋转键: 6
重原子: 38
形式电荷: 0
复杂度: 826

ALIASES

名称与别名

共 3 条

SCHEMBL2673382BUMCYRKWGZPFGX-UHFFFAOYSA-N4-((2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)-1-isopropylpiperazin-2-one

REACTIONS

参与反应

3 条

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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uspto-grants-2012_05 · 10.6084/m9.figshare.5104873.v1 · US08173650B2

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uspto-grants-2013_03 · 10.6084/m9.figshare.5104873.v1 · US08394796B2

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