General Information of the Compound
| Compound ID |
CP0396627
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| Compound Name |
2-[2-methyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]-2-(3,4,5-trifluorophenyl)ethyl]sulfanylphenoxy]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(SC(Cc2cc(F)c(F)c(F)c2)c2ccc(cc2)-c2cccc(c2)C(F)(F)F)ccc1OCC(O)=O
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| InChI |
InChI=1S/C30H22F6O3S/c1-17-11-23(9-10-26(17)39-16-28(37)38)40-27(14-18-12-24(31)29(33)25(32)13-18)20-7-5-19(6-8-20)21-3-2-4-22(15-21)30(34,35)36/h2-13,15,27H,14,16H2,1H3,(H,37,38)
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| InChIKey |
ZOWCCMQGTPLMKJ-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