General Information of the Compound
| Compound ID |
CP0938856
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| Compound Name |
2-methyl-2-[4-{[(4-methyl-2-phenylthiazol-5-ylcarbonyl)amino]-methyl}phenoxy]propionic acid
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| Structure |
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| Formula |
C21H20N2O4S
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| Molecular Weight |
396.468
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| Canonical SMILES |
CC(C)(Oc1ccc(CNC(=O)c2cnc(-c3ccccc3)s2)cc1)C(=O)O
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| InChI |
InChI=1S/C21H20N2O4S/c1-21(2,20(25)26)27-16-10-8-14(9-11-16)12-22-18(24)17-13-23-19(28-17)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,22,24)(H,25,26)
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| InChIKey |
AFDXRWONGGZRBQ-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