General Information of the Compound
| Compound ID |
CP0386785
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| Compound Name |
2-[4-[2-(1,3-benzothiazol-2-yloxy)ethyl]phenoxy]-2-methylpropanoic acid
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| Structure |
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| Formula |
C19H19NO4S
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| Molecular Weight |
357.431
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| Canonical SMILES |
CC(C)(Oc1ccc(CCOc2nc3ccccc3s2)cc1)C(O)=O
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| InChI |
InChI=1S/C19H19NO4S/c1-19(2,17(21)22)24-14-9-7-13(8-10-14)11-12-23-18-20-15-5-3-4-6-16(15)25-18/h3-10H,11-12H2,1-2H3,(H,21,22)
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| InChIKey |
PYUZZYPBVXARII-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