General Information of the Compound
| Compound ID |
CP0075559
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| Compound Name |
2-methyl-2-(2-methyl-4-(3-((4-(trifluoromethyl)benzamido)methyl)phenoxy)phenoxy)propanoic acid
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| Structure |
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| Formula |
C26H24F3NO5
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| Molecular Weight |
487.474
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| Canonical SMILES |
Cc1cc(Oc2cccc(CNC(=O)c3ccc(cc3)C(F)(F)F)c2)ccc1OC(C)(C)C(O)=O
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| InChI |
InChI=1S/C26H24F3NO5/c1-16-13-21(11-12-22(16)35-25(2,3)24(32)33)34-20-6-4-5-17(14-20)15-30-23(31)18-7-9-19(10-8-18)26(27,28)29/h4-14H,15H2,1-3H3,(H,30,31)(H,32,33)
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| InChIKey |
RLTVFWLIKGNVBV-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