General Information of the Compound
| Compound ID |
CP0551921
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| Compound Name |
2-[2-fluoro-4-[[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]methoxy]phenoxy]acetic acid
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| Structure |
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| Formula |
C20H18FNO4S
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| Molecular Weight |
387.432
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| Canonical SMILES |
Cc1nc(sc1COc1ccc(OCC(O)=O)c(F)c1)-c1cccc(C)c1
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| InChI |
InChI=1S/C20H18FNO4S/c1-12-4-3-5-14(8-12)20-22-13(2)18(27-20)10-25-15-6-7-17(16(21)9-15)26-11-19(23)24/h3-9H,10-11H2,1-2H3,(H,23,24)
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| InChIKey |
AFJXEHIRHUBJKQ-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