General Information of the Compound
| Compound ID |
CP0505387
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| Compound Name |
4-[4-(cyclohexanecarbonyl)benzoyl]benzoic acid
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| Structure |
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| Formula |
C21H20O4
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| Molecular Weight |
336.387
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| Canonical SMILES |
OC(=O)c1ccc(cc1)C(=O)c1ccc(cc1)C(=O)C1CCCCC1
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| InChI |
InChI=1S/C21H20O4/c22-19(14-4-2-1-3-5-14)15-6-8-16(9-7-15)20(23)17-10-12-18(13-11-17)21(24)25/h6-14H,1-5H2,(H,24,25)
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| InChIKey |
VXIXTOPTKFLZAH-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