General Information of the Compound
| Compound ID |
CP0376472
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| Compound Name |
(2R)-2-benzyl-3-[3-[[(4-phenylbenzoyl)amino]methyl]-4-propoxyphenyl]propanoic acid
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| Structure |
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| Formula |
C33H33NO4
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| Molecular Weight |
507.63
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| Canonical SMILES |
CCCOc1ccc(C[C@@H](Cc2ccccc2)C(O)=O)cc1CNC(=O)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C33H33NO4/c1-2-19-38-31-18-13-25(21-29(33(36)37)20-24-9-5-3-6-10-24)22-30(31)23-34-32(35)28-16-14-27(15-17-28)26-11-7-4-8-12-26/h3-18,22,29H,2,19-21,23H2,1H3,(H,34,35)(H,36,37)/t29-/m1/s1
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| InChIKey |
BUHWDRGQLOQVKS-GDLZYMKVSA-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