General Information of the Compound
| Compound ID |
CP0503574
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| Compound Name |
5-(4-benzoylphenoxy)-2,2-dimethylpentanoic acid
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| Structure |
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| Formula |
C20H22O4
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| Molecular Weight |
326.392
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| Canonical SMILES |
CC(C)(CCCOc1ccc(cc1)C(=O)c1ccccc1)C(O)=O
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| InChI |
InChI=1S/C20H22O4/c1-20(2,19(22)23)13-6-14-24-17-11-9-16(10-12-17)18(21)15-7-4-3-5-8-15/h3-5,7-12H,6,13-14H2,1-2H3,(H,22,23)
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| InChIKey |
IFYVGFZZXJZLRN-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