General Information of the Compound
| Compound ID |
CP0075561
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| Compound Name |
2-(4-(4-fluoro-3-((2-fluoro-4-(trifluoromethyl)benzamido)methyl)phenoxy)-2-methylphenoxy)-2-methylpropanoic acid
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| Structure |
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| Formula |
C26H22F5NO5
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| Molecular Weight |
523.454
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| Canonical SMILES |
Cc1cc(Oc2ccc(F)c(CNC(=O)c3ccc(cc3F)C(F)(F)F)c2)ccc1OC(C)(C)C(O)=O
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| InChI |
InChI=1S/C26H22F5NO5/c1-14-10-17(6-9-22(14)37-25(2,3)24(34)35)36-18-5-8-20(27)15(11-18)13-32-23(33)19-7-4-16(12-21(19)28)26(29,30)31/h4-12H,13H2,1-3H3,(H,32,33)(H,34,35)
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| InChIKey |
HNESZXCOTZCFMK-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