General Information of the Compound
| Compound ID |
CP0440158
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| Compound Name |
4-[4-(2,4-dichlorobenzoyl)benzoyl]benzoic acid
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| Structure |
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| Formula |
C21H12Cl2O4
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| Molecular Weight |
399.229
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| Canonical SMILES |
OC(=O)c1ccc(cc1)C(=O)c1ccc(cc1)C(=O)c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C21H12Cl2O4/c22-16-9-10-17(18(23)11-16)20(25)14-3-1-12(2-4-14)19(24)13-5-7-15(8-6-13)21(26)27/h1-11H,(H,26,27)
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| InChIKey |
HGAPUOSEMOWPNU-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