General Information of the Compound
| Compound ID |
CP0048253
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| Compound Name |
4-[2,6-difluoro-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenoxy]butanoic acid
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| Structure |
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| Formula |
C17H12F6O4
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| Molecular Weight |
394.267
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| Canonical SMILES |
OC(=O)CCCOc1c(F)cc(cc1F)-c1cc(OC(F)(F)F)ccc1F
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| InChI |
InChI=1S/C17H12F6O4/c18-12-4-3-10(27-17(21,22)23)8-11(12)9-6-13(19)16(14(20)7-9)26-5-1-2-15(24)25/h3-4,6-8H,1-2,5H2,(H,24,25)
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| InChIKey |
IJJBCZREWOBDBI-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: PT03121, Free fatty acid receptor 4
Protein ID: PT04427, Free fatty acid receptor 4