HCID66781677

[4-({3-[4-(Biphenyl-2-ylcarbamoyloxy)piperidin-1-yl]propionyl}methylamino)-phenyl]acetic acid

2-[4-[[2-oxo-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]butyl]amino]phenyl]acetic acid

C30H33N3O5515.6 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(O)Cc1ccc(NCC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1
InChIKey: NBOKFOPXLIPIFD-UHFFFAOYSA-N
分子式: C30H33N3O5
平均分子量: 515.6 g/mol
单同位素质量: 515.24202116

COMPUTED

结构计算性质

已同步

XLogP: 2.3
极性表面积: 108 Å²
氢键供体: 3
氢键受体: 7
可旋转键: 12
重原子: 38
形式电荷: 0
复杂度: 755

ALIASES

名称与别名

共 4 条

SCHEMBL730232NBOKFOPXLIPIFD-UHFFFAOYSA-N[4-({3-[4-(biphenyl-2-ylcarbamoyloxy)piperidin-1-yl]propionyl}methylamino)-phenyl]acetic acid[4-({3-[4-(Biphenyl-2-ylcarbamoyloxy)piperidin-1-yl]propionyl}methylamino)phenyl]acetic Acid

REACTIONS

参与反应

7 条

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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uspto-grants-2013_10 · 10.6084/m9.figshare.5104873.v1 · US08551978B2

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uspto-grants-2016_07 · 10.6084/m9.figshare.5104873.v1 · US09394275B2

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uspto-grants-2012_03 · 10.6084/m9.figshare.5104873.v1 · US08138345B2

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uspto-grants-2012_03 · 10.6084/m9.figshare.5104873.v1 · US08138345B2

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uspto-grants-2015_04 · 10.6084/m9.figshare.5104873.v1 · US09000173B2

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uspto-grants-2014_08 · 10.6084/m9.figshare.5104873.v1 · US08816088B2

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