General Information of the Compound
Compound ID
CP0848713
Compound Name
7-Methyl-2-(4-morpholinyl)-9-(2-methylphenyl)-4Hpyrido[1,2-a]pyrimidin-4-one
    Show/Hide
Structure
Formula
C20H22N4O2
Molecular Weight
350.422
Canonical SMILES
Cc1cc(Nc2ccccc2C)c2nc(N3CCOCC3)cc(=O)n2c1
    Show/Hide
InChI
InChI=1S/C20H22N4O2/c1-14-11-17(21-16-6-4-3-5-15(16)2)20-22-18(12-19(25)24(20)13-14)23-7-9-26-10-8-23/h3-6,11-13,21H,7-10H2,1-2H3
    Show/Hide
InChIKey
MMCBRGSZSPSFRZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.89154
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
58.87
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
26

"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: 57798309
ChEMBL ID
CHEMBL3585597
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: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 1500 nM
   TI
   LI
   LO
   TS
Protein ID: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 1100 nM
   TI
   LI
   LO
   TS
Protein ID: PT00999, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 310 nM
   TI
   LI
   LO
   TS