General Information of the Compound
Compound ID
CP0889367
Compound Name
2-(4-Morpholinyl)-4-oxo-N-(3-pyridinylmethyl)-4H-pyrido[1,2-a]pyrimidine-9-carboxamide
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Structure
Formula
C19H19N5O3
Molecular Weight
365.393
Canonical SMILES
O=C(NCc1cccnc1)c1cccn2c(=O)cc(N3CCOCC3)nc12
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InChI
InChI=1S/C19H19N5O3/c25-17-11-16(23-7-9-27-10-8-23)22-18-15(4-2-6-24(17)18)19(26)21-13-14-3-1-5-20-12-14/h1-6,11-12H,7-10,13H2,(H,21,26)
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InChIKey
NIFDYLMXHVDYSD-UHFFFAOYSA-N
Physicochemical Property
logP
0.8561
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
88.83
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
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: 122179716
ChEMBL ID
CHEMBL3585614
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 = 6500 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 > 10000 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 > 10000 nM
   TI
   LI
   LO
   TS