General Information of the Compound
| Compound ID |
CP0140961
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| Compound Name |
2-(4-(3-(4-chloro-3-(trifluoromethyl)phenoxy)propoxy)phenylthio)hexanoic acid
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| Structure |
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| Formula |
C22H24ClF3O4S
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| Molecular Weight |
476.944
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| Canonical SMILES |
CCCCC(Sc1ccc(OCCCOc2ccc(Cl)c(c2)C(F)(F)F)cc1)C(O)=O
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| InChI |
InChI=1S/C22H24ClF3O4S/c1-2-3-5-20(21(27)28)31-17-9-6-15(7-10-17)29-12-4-13-30-16-8-11-19(23)18(14-16)22(24,25)26/h6-11,14,20H,2-5,12-13H2,1H3,(H,27,28)
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| InChIKey |
ASHJFOIBKHRPEA-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: PT00915, Peroxisome proliferator-activated receptor gamma