General Information of the Compound
| Compound ID |
CP0432557
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| Compound Name |
2-[4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]acetic acid
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| Structure |
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| Formula |
C17H12F6O2
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| Molecular Weight |
362.269
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| Canonical SMILES |
Cc1cc(ccc1CC(O)=O)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C17H12F6O2/c1-9-4-11(3-2-10(9)7-15(24)25)12-5-13(16(18,19)20)8-14(6-12)17(21,22)23/h2-6,8H,7H2,1H3,(H,24,25)
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| InChIKey |
FLQDGVQEVOWTIT-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
Protein ID: PT01930, Retinoic acid receptor RXR-alpha
Protein ID: PT01474, Retinoic acid receptor RXR-beta
Protein ID: PT02769, Retinoic acid receptor RXR-gamma