General Information of the Compound
| Compound ID |
CP0254225
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| Compound Name |
(R)-3-{4-[3-(4-chloro-2-phenoxy-phenoxy)-butoxy]-2-methyl-phenyl}-propionic acid
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| Structure |
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| Formula |
C26H27ClO5
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| Molecular Weight |
454.95
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| Canonical SMILES |
C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(Cl)cc1Oc1ccccc1
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| InChI |
InChI=1S/C26H27ClO5/c1-18-16-23(11-8-20(18)9-13-26(28)29)30-15-14-19(2)31-24-12-10-21(27)17-25(24)32-22-6-4-3-5-7-22/h3-8,10-12,16-17,19H,9,13-15H2,1-2H3,(H,28,29)/t19-/m1/s1
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| InChIKey |
ZARBOTMPCCXOHE-LJQANCHMSA-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