General Information of the Compound
Compound ID
CP0244882
Compound Name
N-[2-(2-chloropyridin-3-yl)ethyl]-2-(furan-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
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Structure
Formula
C18H14ClN5O2
Molecular Weight
367.796
Canonical SMILES
Clc1ncccc1CCNC(=O)c1ccnc2nc([nH]c12)-c1ccoc1
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InChI
InChI=1S/C18H14ClN5O2/c19-15-11(2-1-6-20-15)3-7-22-18(25)13-4-8-21-17-14(13)23-16(24-17)12-5-9-26-10-12/h1-2,4-6,8-10H,3,7H2,(H,22,25)(H,21,23,24)
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InChIKey
XATTWOQASIHXNV-UHFFFAOYSA-N
Physicochemical Property
logP
3.2388
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
96.7
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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: 57766899
ChEMBL ID
CHEMBL2048673
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 = 310 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 9 nM