General Information of the Compound
Compound ID
CP0564704
Compound Name
2-methoxy-4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
    Show/Hide
Structure
Formula
C20H23N5O2
Molecular Weight
365.437
Canonical SMILES
COc1cc(ccc1C(N)=O)-c1cnc2cc(ccn12)N1CCN(C)CC1
    Show/Hide
InChI
InChI=1S/C20H23N5O2/c1-23-7-9-24(10-8-23)15-5-6-25-17(13-22-19(25)12-15)14-3-4-16(20(21)26)18(11-14)27-2/h3-6,11-13H,7-10H2,1-2H3,(H2,21,26)
    Show/Hide
InChIKey
UPWKPELFVSBELI-UHFFFAOYSA-N
Physicochemical Property
logP
1.8606
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
76.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
27

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 137661538
ChEMBL ID
CHEMBL4102006
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: PT01074, Serine/threonine-protein kinase Nek2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 19280 nM
   TI
   LI
   LO
   TS