General Information of the Compound
| Compound ID |
CP0131907
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| Compound Name |
3-{4-[3-(2-benzyl-4-ethyl-phenoxy)-butoxy]-2-methyl-phenyl}-propionic acid
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| Structure |
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| Formula |
C29H34O4
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| Molecular Weight |
446.587
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| Canonical SMILES |
CCc1ccc(OC(C)CCOc2ccc(CCC(O)=O)c(C)c2)c(Cc2ccccc2)c1
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| InChI |
InChI=1S/C29H34O4/c1-4-23-10-14-28(26(19-23)20-24-8-6-5-7-9-24)33-22(3)16-17-32-27-13-11-25(21(2)18-27)12-15-29(30)31/h5-11,13-14,18-19,22H,4,12,15-17,20H2,1-3H3,(H,30,31)
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| InChIKey |
QRUJOOQWHBDHME-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