General Information of the Compound
| Compound ID |
CP0435129
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| Compound Name |
2-[4-[[3-[3-chloro-4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazol-5-yl]methylsulfanyl]-2-methylphenoxy]-2-methylpropanoic acid
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| Structure |
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| Formula |
C21H18ClF3N2O4S2
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| Molecular Weight |
518.966
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| Canonical SMILES |
Cc1cc(SCc2nc(ns2)-c2ccc(OC(F)(F)F)c(Cl)c2)ccc1OC(C)(C)C(O)=O
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| InChI |
InChI=1S/C21H18ClF3N2O4S2/c1-11-8-13(5-7-15(11)30-20(2,3)19(28)29)32-10-17-26-18(27-33-17)12-4-6-16(14(22)9-12)31-21(23,24)25/h4-9H,10H2,1-3H3,(H,28,29)
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| InChIKey |
VNWJWKPLAODHNH-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