General Information of the Compound
| Compound ID |
CP0454766
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| Compound Name |
2-[2-methyl-4-[3-methyl-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]butyl]sulfanylphenoxy]acetic acid
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| Structure |
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| Formula |
C25H26F3NO3S2
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| Molecular Weight |
509.615
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| Canonical SMILES |
CC(C)CC(Sc1ccc(OCC(O)=O)c(C)c1)c1sc(nc1C)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C25H26F3NO3S2/c1-14(2)11-21(33-19-9-10-20(15(3)12-19)32-13-22(30)31)23-16(4)29-24(34-23)17-5-7-18(8-6-17)25(26,27)28/h5-10,12,14,21H,11,13H2,1-4H3,(H,30,31)
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| InChIKey |
XSSCXIKATZTDKI-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