General Information of the Compound
| Compound ID |
CP0045458
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| Compound Name |
4-[4-(4-Methyl-benzoyl)-benzoyl]-benzoic acid
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| Structure |
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| Formula |
C22H16O4
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| Molecular Weight |
344.366
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| Canonical SMILES |
Cc1ccc(cc1)C(=O)c1ccc(cc1)C(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C22H16O4/c1-14-2-4-15(5-3-14)20(23)16-6-8-17(9-7-16)21(24)18-10-12-19(13-11-18)22(25)26/h2-13H,1H3,(H,25,26)
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| InChIKey |
GUKYQGILZRXNTA-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