General Information of the Compound
| Compound ID |
CP0374837
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| Compound Name |
2-[4-[[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]methoxy]-3-chlorophenyl]acetic acid
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| Structure |
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| Formula |
C29H19ClF6O3
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| Molecular Weight |
564.909
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| Canonical SMILES |
OC(=O)Cc1ccc(OCc2cc(cc(c2)-c2ccc(cc2)C(F)(F)F)-c2ccc(cc2)C(F)(F)F)c(Cl)c1
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| InChI |
InChI=1S/C29H19ClF6O3/c30-25-13-17(14-27(37)38)1-10-26(25)39-16-18-11-21(19-2-6-23(7-3-19)28(31,32)33)15-22(12-18)20-4-8-24(9-5-20)29(34,35)36/h1-13,15H,14,16H2,(H,37,38)
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| InChIKey |
SPZGGRYUPKOGOI-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