General Information of the Compound
Compound ID
CP0340583
Compound Name
N-(4-methylpyridin-3-yl)-2-(3-phenylpyrrolidin-1-yl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
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Structure
Formula
C23H22N6O
Molecular Weight
398.47
Canonical SMILES
Cc1ccncc1NC(=O)c1ccnc2nc([nH]c12)N1CCC(C1)c1ccccc1
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InChI
InChI=1S/C23H22N6O/c1-15-7-10-24-13-19(15)26-22(30)18-8-11-25-21-20(18)27-23(28-21)29-12-9-17(14-29)16-5-3-2-4-6-16/h2-8,10-11,13,17H,9,12,14H2,1H3,(H,26,30)(H,25,27,28)
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InChIKey
QQYKOWGBNFEJPJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.90752
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
86.8
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 70690441
ChEMBL ID
CHEMBL2048675
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 = 40 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 30 nM