General Information of the Compound
| Compound ID |
CP0114689
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| Compound Name |
(2S)-2-(2-benzoylanilino)-3-(4-phenylmethoxyphenyl)propanoic acid
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| Structure |
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| Formula |
C29H25NO4
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| Molecular Weight |
451.522
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)Nc1ccccc1C(=O)c1ccccc1
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| InChI |
InChI=1S/C29H25NO4/c31-28(23-11-5-2-6-12-23)25-13-7-8-14-26(25)30-27(29(32)33)19-21-15-17-24(18-16-21)34-20-22-9-3-1-4-10-22/h1-18,27,30H,19-20H2,(H,32,33)/t27-/m0/s1
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| InChIKey |
QNBBONUOVHBLSG-MHZLTWQESA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound