General Information of the Compound
| Compound ID |
CP0455980
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| Compound Name |
(2R)-2-benzyl-3-[3-[[[4-(2-methylphenyl)benzoyl]amino]methyl]-4-propoxyphenyl]propanoic acid
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| Structure |
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| Formula |
C34H35NO4
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| Molecular Weight |
521.657
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| Canonical SMILES |
CCCOc1ccc(C[C@@H](Cc2ccccc2)C(O)=O)cc1CNC(=O)c1ccc(cc1)-c1ccccc1C
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| InChI |
InChI=1S/C34H35NO4/c1-3-19-39-32-18-13-26(21-29(34(37)38)20-25-10-5-4-6-11-25)22-30(32)23-35-33(36)28-16-14-27(15-17-28)31-12-8-7-9-24(31)2/h4-18,22,29H,3,19-21,23H2,1-2H3,(H,35,36)(H,37,38)/t29-/m1/s1
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| InChIKey |
OJMLBCJMWGXJOP-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