General Information of the Compound
Compound ID
CP0432229
Compound Name
2-(4-fluorophenyl)-N-[2-(6-fluoropyridin-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
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Structure
Formula
C20H15F2N5O
Molecular Weight
379.37
Canonical SMILES
Fc1ccc(cc1)-c1nc2nccc(C(=O)NCCc3ccc(F)nc3)c2[nH]1
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InChI
InChI=1S/C20H15F2N5O/c21-14-4-2-13(3-5-14)18-26-17-15(8-10-23-19(17)27-18)20(28)24-9-7-12-1-6-16(22)25-11-12/h1-6,8,10-11H,7,9H2,(H,24,28)(H,23,26,27)
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InChIKey
RLAJRJVJYYEHDB-UHFFFAOYSA-N
Physicochemical Property
logP
3.2706
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
83.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 70696681
ChEMBL ID
CHEMBL2048664
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 = 300 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 17 nM