General Information of the Compound
Compound ID
CP0490297
Compound Name
3-[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
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Structure
Formula
C18H15N5
Molecular Weight
301.353
Canonical SMILES
Cc1ccc(cc1)-n1c(nc2cccnc12)-c1cccnc1N
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InChI
InChI=1S/C18H15N5/c1-12-6-8-13(9-7-12)23-17(14-4-2-10-20-16(14)19)22-15-5-3-11-21-18(15)23/h2-11H,1H3,(H2,19,20)
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InChIKey
ATCBNRSBCPIMBZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.37312
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
69.62
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 58345215
ChEMBL ID
CHEMBL4535365
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 = 720 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 = 20000 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