General Information of the Compound
| Compound ID |
CP0411113
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| Compound Name |
4-[3,5-bis(trifluoromethyl)phenyl]-2-methylbenzoic acid
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| Structure |
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| Formula |
C16H10F6O2
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| Molecular Weight |
348.242
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| Canonical SMILES |
Cc1cc(ccc1C(O)=O)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C16H10F6O2/c1-8-4-9(2-3-13(8)14(23)24)10-5-11(15(17,18)19)7-12(6-10)16(20,21)22/h2-7H,1H3,(H,23,24)
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| InChIKey |
AMWWGPAAICSTSU-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