General Information of the Compound
| Compound ID |
CP0395305
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| Compound Name |
2-[4-(4,4''-bis-trifluoromethyl-[1,1';3',1'']terphenyl-5'-ylmethoxy)-phenoxy]-2-methyl-propionic acid
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| Structure |
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| Formula |
C31H24F6O4
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| Molecular Weight |
574.517
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| Canonical SMILES |
CC(C)(Oc1ccc(OCc2cc(cc(c2)-c2ccc(cc2)C(F)(F)F)-c2ccc(cc2)C(F)(F)F)cc1)C(O)=O
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| InChI |
InChI=1S/C31H24F6O4/c1-29(2,28(38)39)41-27-13-11-26(12-14-27)40-18-19-15-22(20-3-7-24(8-4-20)30(32,33)34)17-23(16-19)21-5-9-25(10-6-21)31(35,36)37/h3-17H,18H2,1-2H3,(H,38,39)
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| InChIKey |
MPDKXLYYEUYUHL-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