General Information of the Compound
| Compound ID |
CP0446020
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| Compound Name |
2-[4-[[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]methylsulfanyl]-2-methylphenoxy]acetic acid
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| Structure |
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| Formula |
C30H22F6O3S
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| Molecular Weight |
576.558
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| Canonical SMILES |
Cc1cc(SCc2cc(cc(c2)-c2ccc(cc2)C(F)(F)F)-c2ccc(cc2)C(F)(F)F)ccc1OCC(O)=O
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| InChI |
InChI=1S/C30H22F6O3S/c1-18-12-26(10-11-27(18)39-16-28(37)38)40-17-19-13-22(20-2-6-24(7-3-20)29(31,32)33)15-23(14-19)21-4-8-25(9-5-21)30(34,35)36/h2-15H,16-17H2,1H3,(H,37,38)
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| InChIKey |
BWJLROJDSHHWFJ-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