General Information of the Compound
| Compound ID |
CP0549017
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| Compound Name |
4-[[2,4-bis(trifluoromethyl)phenoxy]methyl]benzoic acid
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| Structure |
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| Formula |
C16H10F6O3
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| Molecular Weight |
364.241
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| Canonical SMILES |
OC(=O)c1ccc(COc2ccc(cc2C(F)(F)F)C(F)(F)F)cc1
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| InChI |
InChI=1S/C16H10F6O3/c17-15(18,19)11-5-6-13(12(7-11)16(20,21)22)25-8-9-1-3-10(4-2-9)14(23)24/h1-7H,8H2,(H,23,24)
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| InChIKey |
RUGMQHNOACFHCE-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