General Information of the Compound
| Compound ID |
CP0435125
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| Compound Name |
2-[4-[[3-(3,4-dimethylphenyl)-1,2,4-thiadiazol-5-yl]methylsulfanyl]-2-methylphenoxy]-2-methylpropanoic acid
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| Structure |
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| Formula |
C22H24N2O3S2
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| Molecular Weight |
428.579
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| Canonical SMILES |
Cc1ccc(cc1C)-c1nsc(CSc2ccc(OC(C)(C)C(O)=O)c(C)c2)n1
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| InChI |
InChI=1S/C22H24N2O3S2/c1-13-6-7-16(10-14(13)2)20-23-19(29-24-20)12-28-17-8-9-18(15(3)11-17)27-22(4,5)21(25)26/h6-11H,12H2,1-5H3,(H,25,26)
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| InChIKey |
BIEZLHAQUMPLCK-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