HCID57813511

3-[({[6-Fluoro-3'-(hydroxymethyl)-3-biphenylyl]methyl}amino)carbonyl]benzoic acid

3-[[4-fluoro-3-[3-(hydroxymethyl)phenyl]phenyl]methylcarbamoyl]benzoic acid

C22H18FNO4379.4 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(O)c1cccc(C(=O)NCc2ccc(F)c(-c3cccc(CO)c3)c2)c1
InChIKey: GLYNKLJQGOKECO-UHFFFAOYSA-N
分子式: C22H18FNO4
平均分子量: 379.4 g/mol
单同位素质量: 379.12198622

COMPUTED

结构计算性质

已同步

XLogP: 3.1
极性表面积: 86.6 Å²
氢键供体: 3
氢键受体: 5
可旋转键: 6
重原子: 28
形式电荷: 0
复杂度: 543

ALIASES

名称与别名

共 4 条

SCHEMBL1362919GLYNKLJQGOKECO-UHFFFAOYSA-N3-[({[6-Fluoro-3'-(hydroxymethyl)-3-biphenylyl]methyl}-amino)carbonyl]benzoic Acid3-[({[6-Fluoro-3'-(hydroxymethyl)-3-biphenylyl]methyl}amino)carbonyl]benzoic acid

REACTIONS

参与反应

4 条

uspto-grants-2011_11 · 10.6084/m9.figshare.5104873.v1 · US08067408B2

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uspto-grants-2011_11 · 10.6084/m9.figshare.5104873.v1 · US08067408B2

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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