General Information of the Compound
| Compound ID |
CP0408562
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| Compound Name |
methyl 2-[4-[3-[2-propyl-4-(trifluoromethyl)phenoxy]propoxy]phenoxy]acetate
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| Structure |
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| Formula |
C22H25F3O5
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| Molecular Weight |
426.431
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| Canonical SMILES |
CCCc1cc(ccc1OCCCOc1ccc(OCC(=O)OC)cc1)C(F)(F)F
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| InChI |
InChI=1S/C22H25F3O5/c1-3-5-16-14-17(22(23,24)25)6-11-20(16)29-13-4-12-28-18-7-9-19(10-8-18)30-15-21(26)27-2/h6-11,14H,3-5,12-13,15H2,1-2H3
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| InChIKey |
QWHZESJTJBNHNG-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