General Information of the Compound
| Compound ID |
CP0531083
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| Compound Name |
2-[3-[4-(3-methylphenyl)phenyl]propanoylamino]benzoic acid
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| Structure |
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| Formula |
C23H21NO3
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| Molecular Weight |
359.425
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| Canonical SMILES |
Cc1cccc(c1)-c1ccc(CCC(=O)Nc2ccccc2C(O)=O)cc1
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| InChI |
InChI=1S/C23H21NO3/c1-16-5-4-6-19(15-16)18-12-9-17(10-13-18)11-14-22(25)24-21-8-3-2-7-20(21)23(26)27/h2-10,12-13,15H,11,14H2,1H3,(H,24,25)(H,26,27)
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| InChIKey |
LFXWFRARASSVPY-UHFFFAOYSA-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