General Information of the Compound
Compound ID
CP0453005
Compound Name
4-{3-phenylimidazo[1,2-a]pyridin-7-yl}-1-[3-(piperidin-1-yl)propyl]-1,2-dihydropyridin-2-one
    Show/Hide
Structure
Formula
C26H28N4O
Molecular Weight
412.537
Canonical SMILES
O=c1cc(ccn1CCCN1CCCCC1)-c1ccn2c(cnc2c1)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C26H28N4O/c31-26-19-23(10-16-29(26)15-7-14-28-12-5-2-6-13-28)22-11-17-30-24(20-27-25(30)18-22)21-8-3-1-4-9-21/h1,3-4,8-11,16-20H,2,5-7,12-15H2
    Show/Hide
InChIKey
JPWAQYSLKMIFOO-UHFFFAOYSA-N
Physicochemical Property
logP
4.706
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
42.54
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
31

"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: 5329351
SID: 15055623
ChEMBL ID
CHEMBL435702
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: PT00864, Vascular endothelial growth factor receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 28 nM
   TI
   LI
   LO
   TS