General Information of the Compound
Compound ID
CP0453692
Compound Name
N-[[4-[2-(2-aminopyridin-3-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-phenylacetamide
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Structure
Formula
C26H22N6O
Molecular Weight
434.503
Canonical SMILES
Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CNC(=O)Cc2ccccc2)cc1
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InChI
InChI=1S/C26H22N6O/c27-24-21(8-4-14-28-24)25-31-22-9-5-15-29-26(22)32(25)20-12-10-19(11-13-20)17-30-23(33)16-18-6-2-1-3-7-18/h1-15H,16-17H2,(H2,27,28)(H,30,33)
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InChIKey
KUZJNSZAXWUWCY-UHFFFAOYSA-N
Physicochemical Property
logP
3.9236
Rotatable Bonds
6
Heavy Atom Count
33
Polar Areas
98.72
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
33

"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: 58345118
SID: 144086463
ChEMBL ID
CHEMBL2177821
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 = 660 nM
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