General Information of the Compound
| Compound ID |
CP0153988
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| Compound Name |
4-[4-[2-fluoro-5-(3-fluorophenoxy)phenyl]phenoxy]butanoic acid
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| Structure |
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| Formula |
C22H18F2O4
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| Molecular Weight |
384.378
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| Canonical SMILES |
OC(=O)CCCOc1ccc(cc1)-c1cc(Oc2cccc(F)c2)ccc1F
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| InChI |
InChI=1S/C22H18F2O4/c23-16-3-1-4-18(13-16)28-19-10-11-21(24)20(14-19)15-6-8-17(9-7-15)27-12-2-5-22(25)26/h1,3-4,6-11,13-14H,2,5,12H2,(H,25,26)
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| InChIKey |
FLVULLQRNLFPKX-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