General Information of the Compound
Compound ID
CP0506752
Compound Name
1-(3-{3-[(dimethylamino)methyl]piperidin-1-yl}propyl)-4-{3-phenylimidazo[1,2-a]pyridin-7-yl}-1,2-dihydropyridin-2-one
    Show/Hide
Structure
Formula
C29H35N5O
Molecular Weight
469.633
Canonical SMILES
CN(C)CC1CCCN(CCCn2ccc(cc2=O)-c2ccn3c(cnc3c2)-c2ccccc2)C1
    Show/Hide
InChI
InChI=1S/C29H35N5O/c1-31(2)21-23-8-6-13-32(22-23)14-7-15-33-16-11-26(19-29(33)35)25-12-17-34-27(20-30-28(34)18-25)24-9-4-3-5-10-24/h3-5,9-12,16-20,23H,6-8,13-15,21-22H2,1-2H3
    Show/Hide
InChIKey
VXURXFPUZVZOQH-UHFFFAOYSA-N
Physicochemical Property
logP
4.4937
Rotatable Bonds
8
Heavy Atom Count
35
Polar Areas
45.78
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
35

"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: 5329354
SID: 15380933
ChEMBL ID
CHEMBL422918
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 = 67 nM
   TI
   LI
   LO
   TS