General Information of the Compound
| Compound ID |
CP0206606
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| Compound Name |
2-(4-(3-(2-methoxyphenoxy)propoxy)phenylthio)hexanoic acid
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| Structure |
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| Formula |
C22H28O5S
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| Molecular Weight |
404.528
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| Canonical SMILES |
CCCCC(Sc1ccc(OCCCOc2ccccc2OC)cc1)C(O)=O
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| InChI |
InChI=1S/C22H28O5S/c1-3-4-10-21(22(23)24)28-18-13-11-17(12-14-18)26-15-7-16-27-20-9-6-5-8-19(20)25-2/h5-6,8-9,11-14,21H,3-4,7,10,15-16H2,1-2H3,(H,23,24)
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| InChIKey |
ITSGBPFMQAYNSO-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