General Information of the Compound
Compound ID
CP0340584
Compound Name
N-(4-ethoxypyridin-3-yl)-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
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Structure
Formula
C20H16FN5O2
Molecular Weight
377.379
Canonical SMILES
CCOc1ccncc1NC(=O)c1ccnc2nc([nH]c12)-c1ccc(F)cc1
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InChI
InChI=1S/C20H16FN5O2/c1-2-28-16-8-9-22-11-15(16)24-20(27)14-7-10-23-19-17(14)25-18(26-19)12-3-5-13(21)6-4-12/h3-11H,2H2,1H3,(H,24,27)(H,23,25,26)
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InChIKey
KONUVNNRPCDKBD-UHFFFAOYSA-N
Physicochemical Property
logP
3.81
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
92.79
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
28

"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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PubChem ID
CID: 57766836
ChEMBL ID
CHEMBL2048678
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: PT00962, Glycogen synthase kinase-3 beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000264 RD Homo sapiens (Human)  1
1
EC50 = 1.5 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3 nM