General Information of the Compound
Compound ID
CP0507741
Compound Name
3-[3-[(2-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
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Structure
Formula
C19H17N5O
Molecular Weight
331.379
Canonical SMILES
COc1ccccc1Cn1c(nc2cccnc12)-c1cccnc1N
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InChI
InChI=1S/C19H17N5O/c1-25-16-9-3-2-6-13(16)12-24-18(14-7-4-10-21-17(14)20)23-15-8-5-11-22-19(15)24/h2-11H,12H2,1H3,(H2,20,21)
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InChIKey
NZFPGVFBMKQBHX-UHFFFAOYSA-N
Physicochemical Property
logP
3.1324
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
78.85
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
25

"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: 60155091
SID: 144086061
ChEMBL ID
CHEMBL2177841
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 = 58000 nM
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