General Information of the Compound
Compound ID
CP0361793
Compound Name
N-(4-methoxypyridin-3-yl)-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide
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Structure
Formula
C18H14N6O2
Molecular Weight
346.35
Canonical SMILES
COc1ccncc1NC(=O)c1ccnc2nc([nH]c12)-c1ccncc1
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InChI
InChI=1S/C18H14N6O2/c1-26-14-5-8-20-10-13(14)22-18(25)12-4-9-21-17-15(12)23-16(24-17)11-2-6-19-7-3-11/h2-10H,1H3,(H,22,25)(H,21,23,24)
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InChIKey
RJGAYKSLCQDHAB-UHFFFAOYSA-N
Physicochemical Property
logP
2.6758
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
105.68
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
26

"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: 70690442
ChEMBL ID
CHEMBL2048685
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 = 20 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2 nM