General Information of the Compound
Compound ID
CP0877285
Compound Name
3-Methyl-N-[2-(4-Morpholinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]benzamide
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Structure
Formula
C20H20N4O3
Molecular Weight
364.405
Canonical SMILES
Cc1cccc(C(=O)Nc2cccn3c(=O)cc(N4CCOCC4)nc23)c1
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InChI
InChI=1S/C20H20N4O3/c1-14-4-2-5-15(12-14)20(26)21-16-6-3-7-24-18(25)13-17(22-19(16)24)23-8-10-27-11-9-23/h2-7,12-13H,8-11H2,1H3,(H,21,26)
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InChIKey
FLPNXXVOABZJDM-UHFFFAOYSA-N
Physicochemical Property
logP
2.09182
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
75.94
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).

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PubChem ID
CID: 122179720
ChEMBL ID
CHEMBL3585618
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 = 570 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 = 1800 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 = 470 nM
   TI
   LI
   LO
   TS