General Information of the Compound
| Compound ID |
CP0431418
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| Compound Name |
2-(4-(3-(3,4-dimethylphenoxy)propoxy)phenylthio)hexanoic acid
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| Structure |
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| Formula |
C23H30O4S
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| Molecular Weight |
402.556
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| Canonical SMILES |
CCCCC(Sc1ccc(OCCCOc2ccc(C)c(C)c2)cc1)C(O)=O
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| InChI |
InChI=1S/C23H30O4S/c1-4-5-7-22(23(24)25)28-21-12-10-19(11-13-21)26-14-6-15-27-20-9-8-17(2)18(3)16-20/h8-13,16,22H,4-7,14-15H2,1-3H3,(H,24,25)
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| InChIKey |
WEKKXRVUIMLCSV-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