General Information of the Compound
Compound ID
CP0420116
Compound Name
3-[3-[4-(2-aminopropan-2-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
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Structure
Formula
C26H24N6
Molecular Weight
420.52
Canonical SMILES
CC(C)(N)c1ccc(cc1)-n1c(nc2ccc(nc12)-c1ccccc1)-c1cccnc1N
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InChI
InChI=1S/C26H24N6/c1-26(2,28)18-10-12-19(13-11-18)32-24(20-9-6-16-29-23(20)27)31-22-15-14-21(30-25(22)32)17-7-4-3-5-8-17/h3-16H,28H2,1-2H3,(H2,27,29)
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InChIKey
PEFKURKDJJKTQW-UHFFFAOYSA-N
Physicochemical Property
logP
4.9255
Rotatable Bonds
4
Heavy Atom Count
32
Polar Areas
95.64
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
32

"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: 53262404
SID: 124403882
ChEMBL ID
CHEMBL4528363
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 = 5.4 nM
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