General Information of the Compound
| Compound ID |
CP0111047
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| Compound Name |
3-[[6-(3-ethoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
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| Structure |
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| Formula |
C24H22N2O5
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| Molecular Weight |
418.449
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| Canonical SMILES |
CCOc1cccc(Oc2ccc3nc(COc4cccc(c4)C(O)=O)n(C)c3c2)c1
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| InChI |
InChI=1S/C24H22N2O5/c1-3-29-18-8-5-9-19(13-18)31-20-10-11-21-22(14-20)26(2)23(25-21)15-30-17-7-4-6-16(12-17)24(27)28/h4-14H,3,15H2,1-2H3,(H,27,28)
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| InChIKey |
AXIJPLLWCGCPLO-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