HCID69035705

8-(3-((5-Fluoro-2-oxoindolin-3-ylidene)methyl)benzamido)octanoic acid

8-[[3-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]benzoyl]amino]octanoic acid

C24H25FN2O4424.5 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(O)CCCCCCCNC(=O)c1cccc(C=C2C(=O)Nc3ccc(F)cc32)c1
InChIKey: YNDRSROKXNMJCA-UHFFFAOYSA-N
分子式: C24H25FN2O4
平均分子量: 424.5 g/mol
单同位素质量: 424.17983545

COMPUTED

结构计算性质

已同步

XLogP: 3.9
极性表面积: 95.5 Å²
氢键供体: 3
氢键受体: 5
可旋转键: 10
重原子: 31
形式电荷: 0
复杂度: 680

ALIASES

名称与别名

共 4 条

SCHEMBL4417823YNDRSROKXNMJCA-UHFFFAOYSA-N8-(3-((5-fluoro-2-oxoindolin-3-ylidene)methyl)benzamido)-octanoic acid8-(3-((5-fluoro-2-oxoindolin-3-ylidene)methyl)benzamido)octanoic acid

REACTIONS

参与反应

7 条

uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07863315B2

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uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07863315B2

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uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07863315B2

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uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07863315B2

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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