General Information of the Compound
| Compound ID |
CP0386787
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| Compound Name |
2-[4-[2-(4-benzoylphenoxy)ethyl]phenoxy]-2-methylpropanoic acid
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| Structure |
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| Formula |
C25H24O5
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| Molecular Weight |
404.462
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| Canonical SMILES |
CC(C)(Oc1ccc(CCOc2ccc(cc2)C(=O)c2ccccc2)cc1)C(O)=O
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| InChI |
InChI=1S/C25H24O5/c1-25(2,24(27)28)30-22-12-8-18(9-13-22)16-17-29-21-14-10-20(11-15-21)23(26)19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3,(H,27,28)
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| InChIKey |
XDQCXGIQDHMEQA-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