General Information of the Compound
| Compound ID |
CP0488121
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| Compound Name |
2-[4-(1,3-benzothiazol-2-yloxymethyl)phenoxy]-2-methylpropanoic acid
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| Structure |
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| Formula |
C18H17NO4S
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| Molecular Weight |
343.404
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| Canonical SMILES |
CC(C)(Oc1ccc(COc2nc3ccccc3s2)cc1)C(O)=O
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| InChI |
InChI=1S/C18H17NO4S/c1-18(2,16(20)21)23-13-9-7-12(8-10-13)11-22-17-19-14-5-3-4-6-15(14)24-17/h3-10H,11H2,1-2H3,(H,20,21)
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| InChIKey |
WNWHZGJQNRHVGU-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: PT00915, Peroxisome proliferator-activated receptor gamma