General Information of the Compound
Compound ID
CP0688695
Compound Name
7-methyl-9-(2-methylbenzylamino)-2-morpholino-4H-pyrido[1,2-a]pyrimidin-4-one
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Structure
Formula
C21H24N4O2
Molecular Weight
364.449
Canonical SMILES
Cc1cc(NCc2ccccc2C)c2nc(N3CCOCC3)cc(=O)n2c1
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InChI
InChI=1S/C21H24N4O2/c1-15-11-18(22-13-17-6-4-3-5-16(17)2)21-23-19(12-20(26)25(21)14-15)24-7-9-27-10-8-24/h3-6,11-12,14,22H,7-10,13H2,1-2H3
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InChIKey
GJEIGDFMFRYVLI-UHFFFAOYSA-N
Physicochemical Property
logP
2.76004
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
58.87
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: 11428504
SID: 16525838
ChEMBL ID
CHEMBL3218574
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 = 640 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1100 nM
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 = 20 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 110 nM
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 = 140 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 870 nM