General Information of the Compound
| Compound ID |
CP0486813
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| Compound Name |
3-[[6-(2-methoxy-6-methylpyridin-3-yl)oxy-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
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| Formula |
C23H21N3O5
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| Molecular Weight |
419.437
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| Canonical SMILES |
COc1nc(C)ccc1Oc1ccc2nc(COc3cccc(c3)C(O)=O)n(C)c2c1
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| InChI |
InChI=1S/C23H21N3O5/c1-14-7-10-20(22(24-14)29-3)31-17-8-9-18-19(12-17)26(2)21(25-18)13-30-16-6-4-5-15(11-16)23(27)28/h4-12H,13H2,1-3H3,(H,27,28)
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| InChIKey |
SZSGAERWLCURJM-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