General Information of the Compound
Compound ID
CP0498261
Compound Name
2-(4-fluorophenyl)-N-[2-(3-hydroxyphenyl)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
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Structure
Formula
C21H17FN4O2
Molecular Weight
376.391
Canonical SMILES
Oc1cccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2ccc(F)cc2)c1
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InChI
InChI=1S/C21H17FN4O2/c22-15-6-4-14(5-7-15)19-25-18-17(9-11-23-20(18)26-19)21(28)24-10-8-13-2-1-3-16(27)12-13/h1-7,9,11-12,27H,8,10H2,(H,24,28)(H,23,25,26)
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InChIKey
UJQFOUYJDYVEIK-UHFFFAOYSA-N
Physicochemical Property
logP
3.4421
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
90.9
Hydrogen Bond Donor Count
3
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: 24784328
SID: 49708721
ChEMBL ID
CHEMBL2048666
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 = 150 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 14 nM