General Information of the Compound
| Compound ID |
CP0429961
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| Compound Name |
4-[4-(4-tert-butylbenzoyl)benzoyl]benzoic acid
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| Structure |
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| Formula |
C25H22O4
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| Molecular Weight |
386.447
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=O)c1ccc(cc1)C(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C25H22O4/c1-25(2,3)21-14-12-19(13-15-21)23(27)17-6-4-16(5-7-17)22(26)18-8-10-20(11-9-18)24(28)29/h4-15H,1-3H3,(H,28,29)
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| InChIKey |
SOHQVXZEDRJQTR-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