HCID66661327

Sodium 6-((4-(4-(3-cyclobutylureido)-3-fluorobenzoyl)piperazin-1-yl)methyl)picolinate

sodium 6-[[4-[4-(cyclobutylcarbamoylamino)-3-fluorobenzoyl]piperazin-1-yl]methyl]pyridine-2-carboxylate

C23H25FN5NaO4477.5 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(Nc1ccc(C(=O)N2CCN(Cc3cccc(C(=O)[O-])n3)CC2)cc1F)NC1CCC1.[Na+]
InChIKey: YOPDJISWLCWMLU-UHFFFAOYSA-M
分子式: C23H25FN5NaO4
平均分子量: 477.5 g/mol
单同位素质量: 477.17882674

COMPUTED

结构计算性质

已同步

极性表面积: 118 Å²
氢键供体: 2
氢键受体: 7
可旋转键: 6
重原子: 34
形式电荷: 0
复杂度: 719

ALIASES

名称与别名

共 4 条

SCHEMBL347188YOPDJISWLCWMLU-UHFFFAOYSA-MSodium 6-((4-(4-(3-cyclobutylureido)-3-fluorobenzoyl)piperazin-1-yl)methyl)-picolinateSodium 6-((4-(4-(3-cyclobutylureido)-3-fluorobenzoyl)piperazin-1-yl)methyl)picolinate

REACTIONS

参与反应

2 条

uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08759352B2

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uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08759352B2

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