HCID89614094

1-(5-Methyl-2-(piperidin-4-yloxy)pyridin-3-YL)-N-(thiazol-2-YL)isoquinoline-6-sulfonamide

1-(5-methyl-2-piperidin-4-yloxy-3-pyridinyl)-N-(1,3-thiazol-2-yl)isoquinoline-6-sulfonamide

C23H23N5O3S2481.6 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1cnc(OC2CCNCC2)c(-c2nccc3cc(S(=O)(=O)Nc4nccs4)ccc23)c1
InChIKey: RSLNECSMIFIDSA-UHFFFAOYSA-N
分子式: C23H23N5O3S2
平均分子量: 481.6 g/mol
单同位素质量: 481.12423196

COMPUTED

结构计算性质

已同步

XLogP: 3.4
极性表面积: 143 Å²
氢键供体: 2
氢键受体: 9
可旋转键: 6
重原子: 33
形式电荷: 0
复杂度: 745

ALIASES

名称与别名

共 6 条

CHEMBL3687644SCHEMBL15011190RSLNECSMIFIDSA-UHFFFAOYSA-NBDBM154353US9012443, 3781-(5-METHYL-2-(PIPERIDIN-4-YLOXY)PYRIDIN-3-YL)-N-(THIAZOL-2-YL)ISOQUINOLINE-6-SULFONAMIDE

REACTIONS

参与反应

1 条

uspto-grants-2015_04 · 10.6084/m9.figshare.5104873.v1 · US09012443B2

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