General Information of the Compound
| Compound ID |
CP0685177
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| Compound Name |
3-{[6-(2-Methoxyphenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy}benzoic acid Hydrochloride
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| Structure |
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| Formula |
C23H21ClN2O5
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| Molecular Weight |
440.883
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| Canonical SMILES |
COc1ccccc1Oc1ccc2nc(COc3cccc(C(=O)O)c3)n(C)c2c1.Cl
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| InChI |
InChI=1S/C23H20N2O5.ClH/c1-25-19-13-17(30-21-9-4-3-8-20(21)28-2)10-11-18(19)24-22(25)14-29-16-7-5-6-15(12-16)23(26)27;/h3-13H,14H2,1-2H3,(H,26,27);1H
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| InChIKey |
CIWQRHQWSOGVEF-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