General Information of the Compound
| Compound ID |
CP0035143
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| Compound Name |
2-(4-(5-((2-fluoro-4-(trifluoromethyl)benzamido)methyl)-2-methylphenoxy)-2-methylphenoxy)-2-methylpropanoic acid
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| Structure |
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| Formula |
C27H25F4NO5
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| Molecular Weight |
519.491
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| Canonical SMILES |
Cc1ccc(CNC(=O)c2ccc(cc2F)C(F)(F)F)cc1Oc1ccc(OC(C)(C)C(O)=O)c(C)c1
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| InChI |
InChI=1S/C27H25F4NO5/c1-15-5-6-17(14-32-24(33)20-9-7-18(13-21(20)28)27(29,30)31)12-23(15)36-19-8-10-22(16(2)11-19)37-26(3,4)25(34)35/h5-13H,14H2,1-4H3,(H,32,33)(H,34,35)
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| InChIKey |
DAATXYRCHMUOOY-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