General Information of the Compound
Compound ID
CP0852663
Compound Name
9-[(Methylanilino)methyl]-2-(4-morpholinyl)-4H-pyrido[1,2-a]pyrimidin-4-one
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Structure
Formula
C20H22N4O2
Molecular Weight
350.422
Canonical SMILES
CN(Cc1cccn2c(=O)cc(N3CCOCC3)nc12)c1ccccc1
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InChI
InChI=1S/C20H22N4O2/c1-22(17-7-3-2-4-8-17)15-16-6-5-9-24-19(25)14-18(21-20(16)24)23-10-12-26-13-11-23/h2-9,14H,10-13,15H2,1H3
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InChIKey
KDOWMXAXPMJSEH-UHFFFAOYSA-N
Physicochemical Property
logP
2.1675
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
50.08
Hydrogen Bond Donor Count
0
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).

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PubChem ID
CID: 122179691
ChEMBL ID
CHEMBL3585583
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 = 790 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 = 30 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 = 270 nM
   TI
   LI
   LO
   TS