General Information of the Compound
Compound ID
CP0376676
Compound Name
N-[4-[2-(2-aminopyridin-3-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]acetamide
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Structure
Formula
C19H16N6O
Molecular Weight
344.378
Canonical SMILES
CC(=O)Nc1ccc(cc1)-n1c(nc2cccnc12)-c1cccnc1N
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InChI
InChI=1S/C19H16N6O/c1-12(26)23-13-6-8-14(9-7-13)25-18(15-4-2-10-21-17(15)20)24-16-5-3-11-22-19(16)25/h2-11H,1H3,(H2,20,21)(H,23,26)
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InChIKey
UWILEVIFKOTKNY-UHFFFAOYSA-N
Physicochemical Property
logP
3.0231
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
98.72
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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: 58344944
SID: 144086165
ChEMBL ID
CHEMBL2177815
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: PT00845, RAC-alpha serine/threonine-protein kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 1300 nM
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