General Information of the Compound
Compound ID
CP0500602
Compound Name
N-[4-[2-(2-aminopyridin-3-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]benzamide
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Structure
Formula
C24H18N6O
Molecular Weight
406.449
Canonical SMILES
Nc1ncccc1-c1nc2cccnc2n1-c1ccc(NC(=O)c2ccccc2)cc1
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InChI
InChI=1S/C24H18N6O/c25-21-19(8-4-14-26-21)22-29-20-9-5-15-27-23(20)30(22)18-12-10-17(11-13-18)28-24(31)16-6-2-1-3-7-16/h1-15H,(H2,25,26)(H,28,31)
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InChIKey
STYFGBVKSGWGAE-UHFFFAOYSA-N
Physicochemical Property
logP
4.317
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
98.72
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
31

"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: 58345043
SID: 144086167
ChEMBL ID
CHEMBL2177817
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 = 14 nM
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