HCID118021881

US10023592, Example 152

N-[5-(cyclopropylmethoxy)-4-(2-methyl-1-oxoisoquinolin-4-yl)pyrimidin-2-yl]methanesulfonamide

C19H20N4O4S400.5 g/mol

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IDENTITY

结构与身份

标准SMILES: Cn1cc(-c2nc(NS(C)(=O)=O)ncc2OCC2CC2)c2ccccc2c1=O
InChIKey: OBHVUPJBZYKMSW-UHFFFAOYSA-N
分子式: C19H20N4O4S
平均分子量: 400.5 g/mol
单同位素质量: 400.12052631

COMPUTED

结构计算性质

已同步

XLogP: 1
极性表面积: 110 Å²
氢键供体: 1
氢键受体: 7
可旋转键: 6
重原子: 28
形式电荷: 0
复杂度: 731

ALIASES

名称与别名

共 7 条

CHEMBL5820309SCHEMBL16650972SCHEMBL29848802OBHVUPJBZYKMSW-UHFFFAOYSA-NBDBM285107US10023592, Example 152N-[5-(cyclopropylmethoxy)-4-(2-methyl-1-oxoisoquinolin-4-yl)pyrimidin-2-yl]methanesulfonamide

REACTIONS

参与反应

4 条

uspto-grants-2015_08 · 10.6084/m9.figshare.5104873.v1 · US09115114B2

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uspto-grants-2015_08 · 10.6084/m9.figshare.5104873.v1 · US09115114B2

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uspto-grants-2015_05 · 10.6084/m9.figshare.5104873.v1 · US09034900B2

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uspto-grants-2015_05 · 10.6084/m9.figshare.5104873.v1 · US09034900B2

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