General Information of the Compound
| Compound ID |
CP0424598
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| Compound Name |
[4-[3,5-bis(trifluoromethyl)phenyl]-3,5-dihydroxyphenyl]-phenylmethanone
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| Formula |
C21H12F6O3
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| Molecular Weight |
426.312
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| Canonical SMILES |
Oc1cc(cc(O)c1-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1ccccc1
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| InChI |
InChI=1S/C21H12F6O3/c22-20(23,24)14-6-12(7-15(10-14)21(25,26)27)18-16(28)8-13(9-17(18)29)19(30)11-4-2-1-3-5-11/h1-10,28-29H
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| InChIKey |
JBHQCBYYVWDOOC-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