General Information of the Compound
| Compound ID |
CP0395321
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| Compound Name |
methyl 2-[2-methyl-4-[3-[2-propyl-4-(trifluoromethyl)phenoxy]propoxy]phenoxy]acetate
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| Structure |
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| Formula |
C23H27F3O5
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| Molecular Weight |
440.458
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| Canonical SMILES |
CCCc1cc(ccc1OCCCOc1ccc(OCC(=O)OC)c(C)c1)C(F)(F)F
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| InChI |
InChI=1S/C23H27F3O5/c1-4-6-17-14-18(23(24,25)26)7-9-21(17)30-12-5-11-29-19-8-10-20(16(2)13-19)31-15-22(27)28-3/h7-10,13-14H,4-6,11-12,15H2,1-3H3
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| InChIKey |
MTIFUIXRGBEXCE-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