General Information of the Compound
Compound ID
CP0859323
Compound Name
9-(Anilinomethyl)-2-(4-morpholinyl)-4H-pyrido[1,2-a]-pyrimidin-4-one
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Structure
Formula
C19H20N4O2
Molecular Weight
336.395
Canonical SMILES
O=c1cc(N2CCOCC2)nc2c(CNc3ccccc3)cccn12
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InChI
InChI=1S/C19H20N4O2/c24-18-13-17(22-9-11-25-12-10-22)21-19-15(5-4-8-23(18)19)14-20-16-6-2-1-3-7-16/h1-8,13,20H,9-12,14H2
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InChIKey
ZYDMPRZESNHZRP-UHFFFAOYSA-N
Physicochemical Property
logP
2.1432
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
58.87
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
25

"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: 122179690
ChEMBL ID
CHEMBL3585582
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 = 1100 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 = 470 nM
   TI
   LI
   LO
   TS