General Information of the Compound
| Compound ID |
CP0412456
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| Compound Name |
2-[4-[2-[3-(3,4-dichlorophenyl)-1,2,4-thiadiazol-5-yl]ethylsulfanyl]-2-methylphenoxy]-2-methylpropanoic acid
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| Structure |
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| Formula |
C21H20Cl2N2O3S2
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| Molecular Weight |
483.442
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| Canonical SMILES |
Cc1cc(SCCc2nc(ns2)-c2ccc(Cl)c(Cl)c2)ccc1OC(C)(C)C(O)=O
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| InChI |
InChI=1S/C21H20Cl2N2O3S2/c1-12-10-14(5-7-17(12)28-21(2,3)20(26)27)29-9-8-18-24-19(25-30-18)13-4-6-15(22)16(23)11-13/h4-7,10-11H,8-9H2,1-3H3,(H,26,27)
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| InChIKey |
XUVDMXADPOOBLU-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