General Information of the Compound
| Compound ID |
CP0412459
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| Compound Name |
2-[4-[[3-(3-chloro-4-methylphenyl)-1,2,4-thiadiazol-5-yl]methoxy]-2-methylphenoxy]-2-methylpropanoic acid
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| Structure |
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| Formula |
C21H21ClN2O4S
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| Molecular Weight |
432.929
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| Canonical SMILES |
Cc1ccc(cc1Cl)-c1nsc(COc2ccc(OC(C)(C)C(O)=O)c(C)c2)n1
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| InChI |
InChI=1S/C21H21ClN2O4S/c1-12-5-6-14(10-16(12)22)19-23-18(29-24-19)11-27-15-7-8-17(13(2)9-15)28-21(3,4)20(25)26/h5-10H,11H2,1-4H3,(H,25,26)
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| InChIKey |
UXEPVZPDCHIGDL-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