General Information of the Compound
| Compound ID |
CP0396628
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| Compound Name |
2-[2-methyl-4-[2-phenyl-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]sulfanylphenoxy]acetic acid
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| Structure |
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| Formula |
C29H23F3O3S
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| Molecular Weight |
508.561
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| Canonical SMILES |
Cc1cc(SC(Cc2ccccc2)c2ccc(cc2)-c2cc(F)c(F)c(F)c2)ccc1OCC(O)=O
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| InChI |
InChI=1S/C29H23F3O3S/c1-18-13-23(11-12-26(18)35-17-28(33)34)36-27(14-19-5-3-2-4-6-19)21-9-7-20(8-10-21)22-15-24(30)29(32)25(31)16-22/h2-13,15-16,27H,14,17H2,1H3,(H,33,34)
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| InChIKey |
MVHNKPBNOYEEGE-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