HCID68856919

2-[5-Chloro-2-(3-piperidin-4-yl-propylamino)-pyrimidin-4-yl]-benzo[b]thiophene-4-carboxylic acid cyclopropylamide

2-[5-chloro-2-(3-piperidin-4-ylpropylamino)pyrimidin-4-yl]-N-cyclopropyl-1-benzothiophene-4-carboxamide

C24H28ClN5OS470 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: O=C(NC1CC1)c1cccc2sc(-c3nc(NCCCC4CCNCC4)ncc3Cl)cc12
InChIKey: YDTPNVWZLNWQGE-UHFFFAOYSA-N
分子式: C24H28ClN5OS
平均分子量: 470 g/mol
单同位素质量: 469.1703094

COMPUTED

结构计算性质

等待补全

XLogP: 4.7
极性表面积: 107 Å²
氢键供体: 3
氢键受体: 6
可旋转键: 8
重原子: 32
形式电荷: 0
复杂度: 632

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 3 条

SCHEMBL3964106YDTPNVWZLNWQGE-UHFFFAOYSA-N2-[5-chloro-2-(3-piperidin-4-yl-propylamino)-pyrimidin-4-yl]-benzo[b]thiophene-4-carboxylic acid cyclopropylamide

REACTIONS

相关反应

5 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2009_06 · 10.6084/m9.figshare.5104873.v1 · US07547691B2

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uspto-grants-2009_06 · 10.6084/m9.figshare.5104873.v1 · US07547691B2

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uspto-grants-2009_06 · 10.6084/m9.figshare.5104873.v1 · US07547691B2

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