General Information of the Compound
| Compound ID |
CP0416092
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| Compound Name |
2-[2-methyl-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propylsulfanyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C23H22F3NO3S2
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| Molecular Weight |
481.561
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| Canonical SMILES |
CCC(Sc1ccc(OCC(O)=O)c(C)c1)c1sc(nc1C)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C23H22F3NO3S2/c1-4-19(31-17-9-10-18(13(2)11-17)30-12-20(28)29)21-14(3)27-22(32-21)15-5-7-16(8-6-15)23(24,25)26/h5-11,19H,4,12H2,1-3H3,(H,28,29)
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| InChIKey |
ZFXIEQFQUDNRDD-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