General Information of the Compound
Compound ID
CP0909393
Compound Name
3-(3-(4-(Aminomethyl)phenyl)-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine Hydrochloride
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Structure
Formula
C18H17ClN6
Molecular Weight
352.829
Canonical SMILES
Cl.NCc1ccc(-n2c(-c3cccnc3N)nc3cccnc32)cc1
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InChI
InChI=1S/C18H16N6.ClH/c19-11-12-5-7-13(8-6-12)24-17(14-3-1-9-21-16(14)20)23-15-4-2-10-22-18(15)24;/h1-10H,11,19H2,(H2,20,21);1H
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InChIKey
KCMOQQVRPVPIKB-UHFFFAOYSA-N
Physicochemical Property
logP
2.9452
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
95.64
Hydrogen Bond Donor Count
2
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: 60155179
SID: 144086163
ChEMBL ID
CHEMBL4517839
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 = 1700 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 = 9300 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 > 100000 nM
   TI
   LI
   LO
   TS