General Information of the Compound
| Compound ID |
CP0555832
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| Compound Name |
4-[4-[2,3-difluoro-5-(oxan-4-yloxy)phenyl]-2,6-difluorophenoxy]butanoic acid
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| Structure |
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| Formula |
C21H20F4O5
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| Molecular Weight |
428.378
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| Canonical SMILES |
OC(=O)CCCOc1c(F)cc(cc1F)-c1cc(OC2CCOCC2)cc(F)c1F
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| InChI |
InChI=1S/C21H20F4O5/c22-16-11-14(30-13-3-6-28-7-4-13)10-15(20(16)25)12-8-17(23)21(18(24)9-12)29-5-1-2-19(26)27/h8-11,13H,1-7H2,(H,26,27)
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| InChIKey |
PLSOLCBPKMJOBW-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: PT02793, Free fatty acid receptor 1
Protein ID: PT04427, Free fatty acid receptor 4