General Information of the Compound
| Compound ID |
CP0494794
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| Compound Name |
2-[3-[4-(4-hydroxy-3-methylphenyl)phenyl]propanoylamino]benzoic acid
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| Structure |
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| Formula |
C23H21NO4
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| Molecular Weight |
375.424
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| Canonical SMILES |
Cc1cc(ccc1O)-c1ccc(CCC(=O)Nc2ccccc2C(O)=O)cc1
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| InChI |
InChI=1S/C23H21NO4/c1-15-14-18(11-12-21(15)25)17-9-6-16(7-10-17)8-13-22(26)24-20-5-3-2-4-19(20)23(27)28/h2-7,9-12,14,25H,8,13H2,1H3,(H,24,26)(H,27,28)
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| InChIKey |
BKTDKXZVNLFHBJ-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