General Information of the Compound
| Compound ID |
CP0415619
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| Compound Name |
2-[4-[2-(2-chloro-6-fluorophenyl)-1-(4-phenylphenyl)ethyl]sulfanyl-2-methylphenoxy]acetic acid
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| Structure |
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| Formula |
C29H24ClFO3S
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| Molecular Weight |
507.026
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| Canonical SMILES |
Cc1cc(SC(Cc2c(F)cccc2Cl)c2ccc(cc2)-c2ccccc2)ccc1OCC(O)=O
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| InChI |
InChI=1S/C29H24ClFO3S/c1-19-16-23(14-15-27(19)34-18-29(32)33)35-28(17-24-25(30)8-5-9-26(24)31)22-12-10-21(11-13-22)20-6-3-2-4-7-20/h2-16,28H,17-18H2,1H3,(H,32,33)
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| InChIKey |
IRNMCTGQDLFIHH-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