General Information of the Compound
| Compound ID |
CP0399675
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| Compound Name |
2-[4-[[3-(2,4-dichlorophenyl)-1,2,4-thiadiazol-5-yl]methylsulfanyl]-2-methylphenoxy]-2-methylpropanoic acid
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| Structure |
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| Formula |
C20H18Cl2N2O3S2
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| Molecular Weight |
469.415
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| Canonical SMILES |
Cc1cc(SCc2nc(ns2)-c2ccc(Cl)cc2Cl)ccc1OC(C)(C)C(O)=O
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| InChI |
InChI=1S/C20H18Cl2N2O3S2/c1-11-8-13(5-7-16(11)27-20(2,3)19(25)26)28-10-17-23-18(24-29-17)14-6-4-12(21)9-15(14)22/h4-9H,10H2,1-3H3,(H,25,26)
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| InChIKey |
QDHGUQJAWFDXPA-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