General Information of the Compound
Compound ID
CP0338347
Compound Name
N-[3-(6-chloropyridin-3-yl)propyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
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Structure
Formula
C21H17ClFN5O
Molecular Weight
409.852
Canonical SMILES
Fc1ccc(cc1)-c1nc2nccc(C(=O)NCCCc3ccc(Cl)nc3)c2[nH]1
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InChI
InChI=1S/C21H17ClFN5O/c22-17-8-3-13(12-26-17)2-1-10-25-21(29)16-9-11-24-20-18(16)27-19(28-20)14-4-6-15(23)7-5-14/h3-9,11-12H,1-2,10H2,(H,25,29)(H,24,27,28)
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InChIKey
PRMIUWPTXICFLU-UHFFFAOYSA-N
Physicochemical Property
logP
4.175
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
83.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 57766724
ChEMBL ID
CHEMBL2046466
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 = 250 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 17 nM