General Information of the Compound
Compound ID
CP0163747
Compound Name
2-(4-fluorophenyl)-N-pyridin-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide
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Structure
Formula
C18H12FN5O
Molecular Weight
333.326
Canonical SMILES
Fc1ccc(cc1)-c1nc2nccc(C(=O)Nc3cccnc3)c2[nH]1
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InChI
InChI=1S/C18H12FN5O/c19-12-5-3-11(4-6-12)16-23-15-14(7-9-21-17(15)24-16)18(25)22-13-2-1-8-20-10-13/h1-10H,(H,22,25)(H,21,23,24)
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InChIKey
DYEDOXXZFLAMCF-UHFFFAOYSA-N
Physicochemical Property
logP
3.4113
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
83.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 57766887
ChEMBL ID
CHEMBL2048665
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 = 130 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 8 nM