General Information of the Compound
| Compound ID |
CP0380578
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| Compound Name |
(2R)-2-benzyl-3-[4-propoxy-3-[[(4-pyridin-3-ylbenzoyl)amino]methyl]phenyl]propanoic acid
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| Structure |
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| Formula |
C32H32N2O4
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| Molecular Weight |
508.618
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| Canonical SMILES |
CCCOc1ccc(C[C@@H](Cc2ccccc2)C(O)=O)cc1CNC(=O)c1ccc(cc1)-c1cccnc1
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| InChI |
InChI=1S/C32H32N2O4/c1-2-17-38-30-15-10-24(19-28(32(36)37)18-23-7-4-3-5-8-23)20-29(30)22-34-31(35)26-13-11-25(12-14-26)27-9-6-16-33-21-27/h3-16,20-21,28H,2,17-19,22H2,1H3,(H,34,35)(H,36,37)/t28-/m1/s1
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| InChIKey |
GJBNEVFXFKPELL-MUUNZHRXSA-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