General Information of the Compound
Compound ID
CP0848714
Compound Name
9-(Benzylamino)-7-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
Cc1cc(NCc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1
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InChI
InChI=1S/C20H22N4O2/c1-15-11-17(21-13-16-5-3-2-4-6-16)20-22-18(12-19(25)24(20)14-15)23-7-9-26-10-8-23/h2-6,11-12,14,21H,7-10,13H2,1H3
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InChIKey
UBJVUQITODDUCW-UHFFFAOYSA-N
Physicochemical Property
logP
2.45162
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
58.87
Hydrogen Bond Donor Count
1
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: 10269329
SID: 15274192
ChEMBL ID
CHEMBL3585601
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 = 500 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 = 150 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 = 230 nM
   TI
   LI
   LO
   TS