General Information of the Compound
| Compound ID |
CP0523772
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| Compound Name |
4-[4-(4-carboxybenzoyl)benzoyl]benzoic acid
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| Structure |
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| Formula |
C22H14O6
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| Molecular Weight |
374.348
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| Canonical SMILES |
OC(=O)c1ccc(cc1)C(=O)c1ccc(cc1)C(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C22H14O6/c23-19(15-5-9-17(10-6-15)21(25)26)13-1-2-14(4-3-13)20(24)16-7-11-18(12-8-16)22(27)28/h1-12H,(H,25,26)(H,27,28)
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| InChIKey |
NQTSEFRXDSPIJI-UHFFFAOYSA-N
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| CAS |
20787-49-9
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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