General Information of the Compound
| Compound ID |
CP0396629
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| Compound Name |
2-[4-[2-(2,6-difluorophenyl)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]sulfanyl-2-methylphenoxy]acetic acid
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| Structure |
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| Formula |
C30H23F5O3S
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| Molecular Weight |
558.568
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| Canonical SMILES |
Cc1cc(SC(Cc2c(F)cccc2F)c2ccc(cc2)-c2cccc(c2)C(F)(F)F)ccc1OCC(O)=O
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| InChI |
InChI=1S/C30H23F5O3S/c1-18-14-23(12-13-27(18)38-17-29(36)37)39-28(16-24-25(31)6-3-7-26(24)32)20-10-8-19(9-11-20)21-4-2-5-22(15-21)30(33,34)35/h2-15,28H,16-17H2,1H3,(H,36,37)
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| InChIKey |
RCDRDYPOCIKTST-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