General Information of the Compound
| Compound ID |
CP0416105
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| Compound Name |
2-[4-[2-(2,5-difluorophenyl)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]sulfanyl-2-methylphenoxy]acetic acid
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| Structure |
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| Formula |
C28H22F5NO3S2
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| Molecular Weight |
579.612
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| Canonical SMILES |
Cc1nc(sc1C(Cc1cc(F)ccc1F)Sc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C28H22F5NO3S2/c1-15-11-21(8-10-23(15)37-14-25(35)36)38-24(13-18-12-20(29)7-9-22(18)30)26-16(2)34-27(39-26)17-3-5-19(6-4-17)28(31,32)33/h3-12,24H,13-14H2,1-2H3,(H,35,36)
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| InChIKey |
MFOHCQKSWDSUDO-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