General Information of the Compound
| Compound ID |
CP0455776
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| Compound Name |
2-[2-methyl-4-[1-[6-[4-(trifluoromethyl)phenyl]pyridin-3-yl]-2-(3,4,5-trifluorophenyl)ethyl]sulfanylphenoxy]acetic acid
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| Structure |
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| Formula |
C29H21F6NO3S
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| Molecular Weight |
577.546
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| Canonical SMILES |
Cc1cc(SC(Cc2cc(F)c(F)c(F)c2)c2ccc(nc2)-c2ccc(cc2)C(F)(F)F)ccc1OCC(O)=O
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| InChI |
InChI=1S/C29H21F6NO3S/c1-16-10-21(7-9-25(16)39-15-27(37)38)40-26(13-17-11-22(30)28(32)23(31)12-17)19-4-8-24(36-14-19)18-2-5-20(6-3-18)29(33,34)35/h2-12,14,26H,13,15H2,1H3,(H,37,38)
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| InChIKey |
PIUONPDYWZXIJI-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