General Information of the Compound
| Compound ID |
CP0053319
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| Compound Name |
2-(4-(3-(2-benzoyl-4-ethylphenoxy)propoxy)phenoxy)-2-methylpropanoic acid
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| Structure |
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| Formula |
C28H30O6
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| Molecular Weight |
462.542
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| Canonical SMILES |
CCc1ccc(OCCCOc2ccc(OC(C)(C)C(O)=O)cc2)c(c1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C28H30O6/c1-4-20-11-16-25(24(19-20)26(29)21-9-6-5-7-10-21)33-18-8-17-32-22-12-14-23(15-13-22)34-28(2,3)27(30)31/h5-7,9-16,19H,4,8,17-18H2,1-3H3,(H,30,31)
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| InChIKey |
AFQIAKAIRKBLKC-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