General Information of the Compound
Compound ID
CP0477252
Compound Name
3-[3-[4-(aminomethyl)phenyl]-6-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride
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Structure
Formula
C19H19ClN6
Molecular Weight
366.856
Canonical SMILES
Cl.Cc1cnc2n(c(nc2c1)-c1cccnc1N)-c1ccc(CN)cc1
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InChI
InChI=1S/C19H18N6.ClH/c1-12-9-16-19(23-11-12)25(14-6-4-13(10-20)5-7-14)18(24-16)15-3-2-8-22-17(15)21;/h2-9,11H,10,20H2,1H3,(H2,21,22);1H
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InChIKey
MWWLSEJIQQNGGX-UHFFFAOYSA-N
Physicochemical Property
logP
3.25362
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
95.64
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: 67304551
ChEMBL ID
CHEMBL4565210
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 = 270 nM
   TI
   LI
   LO
   TS
Protein ID: PT01131, RAC-beta 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 = 5300 nM
   TI
   LI
   LO
   TS
Protein ID: PT01022, RAC-gamma 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 > 10000 nM
   TI
   LI
   LO
   TS