General Information of the Compound
| Compound ID |
CP0101568
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| Compound Name |
3-[[6-(4-chlorophenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
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| Structure |
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| Formula |
C22H17ClN2O4
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| Molecular Weight |
408.841
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| Canonical SMILES |
Cn1c(COc2cccc(c2)C(O)=O)nc2ccc(Oc3ccc(Cl)cc3)cc12
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| InChI |
InChI=1S/C22H17ClN2O4/c1-25-20-12-18(29-16-7-5-15(23)6-8-16)9-10-19(20)24-21(25)13-28-17-4-2-3-14(11-17)22(26)27/h2-12H,13H2,1H3,(H,26,27)
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| InChIKey |
ROYGPAWRTBPLER-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