General Information of the Compound
| Compound ID |
CP0166832
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| Compound Name |
3-{4-[3-(2-benzoyl-4-ethyl-phenoxy)-pentyloxy]-2-methyl-phenyl}-propionic acid
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| Structure |
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| Formula |
C30H34O5
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| Molecular Weight |
474.597
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| Canonical SMILES |
CCC(CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(CC)cc1C(=O)c1ccccc1
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| InChI |
InChI=1S/C30H34O5/c1-4-22-11-15-28(27(20-22)30(33)24-9-7-6-8-10-24)35-25(5-2)17-18-34-26-14-12-23(21(3)19-26)13-16-29(31)32/h6-12,14-15,19-20,25H,4-5,13,16-18H2,1-3H3,(H,31,32)
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| InChIKey |
KEUWMDZMXVQKJB-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