HCID57750381

4-amino-N-(1-(4-chlorophenyl)-3-sulfamoylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

4-amino-N-[1-(4-chlorophenyl)-3-sulfamoylpropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

C21H26ClN7O3S492 g/mol

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IDENTITY

结构与身份

标准SMILES: NC1(C(=O)NC(CCS(N)(=O)=O)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
InChIKey: YZSVVNBHGXXQBM-UHFFFAOYSA-N
分子式: C21H26ClN7O3S
平均分子量: 492 g/mol
单同位素质量: 491.1506366

COMPUTED

结构计算性质

已同步

XLogP: 1.1
极性表面积: 168 Å²
氢键供体: 4
氢键受体: 8
可旋转键: 7
重原子: 33
形式电荷: 0
复杂度: 779

ALIASES

名称与别名

共 5 条

CHEMBL2325734SCHEMBL386859YZSVVNBHGXXQBM-UHFFFAOYSA-NBDBM504273554-amino-N-(1-(4-chlorophenyl)-3-sulfamoylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

REACTIONS

参与反应

2 条

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

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uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08101623B2

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