General Information of the Compound
| Compound ID |
CP0477341
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| Compound Name |
2-[2-fluoro-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenoxy]acetic acid
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| Structure |
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| Formula |
C20H15F4NO4S
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| Molecular Weight |
441.402
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| Canonical SMILES |
Cc1nc(sc1COc1ccc(OCC(O)=O)c(F)c1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C20H15F4NO4S/c1-11-17(9-28-14-6-7-16(15(21)8-14)29-10-18(26)27)30-19(25-11)12-2-4-13(5-3-12)20(22,23)24/h2-8H,9-10H2,1H3,(H,26,27)
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| InChIKey |
FFGIHZIQHNGBLS-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: PT00909, Peroxisome proliferator-activated receptor delta