General Information of the Compound
| Compound ID |
CP0380683
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| Compound Name |
4-[4-[(4-methylphenyl)methyl]benzoyl]benzoic acid
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| Structure |
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| Formula |
C22H18O3
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| Molecular Weight |
330.383
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| Canonical SMILES |
Cc1ccc(Cc2ccc(cc2)C(=O)c2ccc(cc2)C(O)=O)cc1
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| InChI |
InChI=1S/C22H18O3/c1-15-2-4-16(5-3-15)14-17-6-8-18(9-7-17)21(23)19-10-12-20(13-11-19)22(24)25/h2-13H,14H2,1H3,(H,24,25)
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| InChIKey |
YOQGUYTYRVMLFY-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