General Information of the Compound
| Compound ID |
CP0256753
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| Compound Name |
2-(4-(3-phenoxypropoxy)-phenylthio)hexanoic acid
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| Structure |
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| Formula |
C21H26O4S
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| Molecular Weight |
374.502
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| Canonical SMILES |
CCCCC(Sc1ccc(OCCCOc2ccccc2)cc1)C(O)=O
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| InChI |
InChI=1S/C21H26O4S/c1-2-3-10-20(21(22)23)26-19-13-11-18(12-14-19)25-16-7-15-24-17-8-5-4-6-9-17/h4-6,8-9,11-14,20H,2-3,7,10,15-16H2,1H3,(H,22,23)
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| InChIKey |
MHFJMHMWBKXGQA-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