General Information of the Compound
| Compound ID |
CP0410219
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| Compound Name |
2-[2-methyl-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-2-(2,3,4,5,6-pentafluorophenyl)ethyl]sulfanylphenoxy]acetic acid
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| Structure |
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| Formula |
C28H19F8NO3S2
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| Molecular Weight |
633.582
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| Canonical SMILES |
Cc1nc(sc1C(Cc1c(F)c(F)c(F)c(F)c1F)Sc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C28H19F8NO3S2/c1-12-9-16(7-8-18(12)40-11-20(38)39)41-19(10-17-21(29)23(31)25(33)24(32)22(17)30)26-13(2)37-27(42-26)14-3-5-15(6-4-14)28(34,35)36/h3-9,19H,10-11H2,1-2H3,(H,38,39)
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| InChIKey |
QAYIVENIKDHQKG-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