General Information of the Compound
| Compound ID |
CP0437344
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| Compound Name |
2-(4-((2-(3-fluoro-4-(trifluoromethyl)phenyl)-4-methylthiazol-5-yl)methylselanyl)-2-methylphenoxy)propanoic acid
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| Structure |
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| Formula |
C22H19F4NO3SSe
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| Molecular Weight |
532.417
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| Canonical SMILES |
CC(Oc1ccc([Se]Cc2sc(nc2C)-c2ccc(c(F)c2)C(F)(F)F)cc1C)C(O)=O
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| InChI |
InChI=1S/C22H19F4NO3SSe/c1-11-8-15(5-7-18(11)30-13(3)21(28)29)32-10-19-12(2)27-20(31-19)14-4-6-16(17(23)9-14)22(24,25)26/h4-9,13H,10H2,1-3H3,(H,28,29)
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| InChIKey |
VRWHMIWJRSAMDS-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: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma