General Information of the Compound
Compound ID
CP0480048
Compound Name
3-[[5-(2-methoxy-6-methylpyridin-4-yl)oxy-3-methylimidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid
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Formula
C22H20N4O5
Molecular Weight
420.425
Canonical SMILES
COc1cc(Oc2ccc3nc(COc4cccc(c4)C(O)=O)n(C)c3n2)cc(C)n1
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InChI
InChI=1S/C22H20N4O5/c1-13-9-16(11-20(23-13)29-3)31-19-8-7-17-21(25-19)26(2)18(24-17)12-30-15-6-4-5-14(10-15)22(27)28/h4-11H,12H2,1-3H3,(H,27,28)
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InChIKey
YXSAVKVZVZAQQT-UHFFFAOYSA-N
Physicochemical Property
logP
3.74982
Rotatable Bonds
7
Heavy Atom Count
31
Polar Areas
108.59
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
31

"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).

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ChEMBL ID
CHEMBL4764106
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
EC50 = 166 nM
   TI
   LI
   LO
   TS