General Information of the Compound
| Compound ID |
CP0874408
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| Compound Name |
3-{[6-(4-Fluoro-3-methylphenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy}benzoic acid Hydrochloride
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| Structure |
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| Formula |
C23H20ClFN2O4
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| Molecular Weight |
442.874
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| Canonical SMILES |
Cc1cc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)ccc1F.Cl
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| InChI |
InChI=1S/C23H19FN2O4.ClH/c1-14-10-17(6-8-19(14)24)30-18-7-9-20-21(12-18)26(2)22(25-20)13-29-16-5-3-4-15(11-16)23(27)28;/h3-12H,13H2,1-2H3,(H,27,28);1H
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| InChIKey |
JMPGDAKPGITRDN-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