General Information of the Compound
| Compound ID |
CP0446019
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| Compound Name |
2-[4-[[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenoxy]acetic acid
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| Structure |
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| Formula |
C29H20F6O4
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| Molecular Weight |
546.463
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| Canonical SMILES |
OC(=O)COc1ccc(OCc2cc(cc(c2)-c2ccc(cc2)C(F)(F)F)-c2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C29H20F6O4/c30-28(31,32)23-5-1-19(2-6-23)21-13-18(16-38-25-9-11-26(12-10-25)39-17-27(36)37)14-22(15-21)20-3-7-24(8-4-20)29(33,34)35/h1-15H,16-17H2,(H,36,37)
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| InChIKey |
KZFVFCHVBDNYPD-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