General Information of the Compound
Compound ID
CP0908317
Compound Name
7-Methyl-2-(4-morpholinyl)-9-(3-methylphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one
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Structure
Formula
C20H22N4O2
Molecular Weight
350.422
Canonical SMILES
Cc1cccc(Nc2cc(C)cn3c(=O)cc(N4CCOCC4)nc23)c1
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InChI
InChI=1S/C20H22N4O2/c1-14-4-3-5-16(10-14)21-17-11-15(2)13-24-19(25)12-18(22-20(17)24)23-6-8-26-9-7-23/h3-5,10-13,21H,6-9H2,1-2H3
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InChIKey
YGPXONCWMOMWQJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.89154
Rotatable Bonds
3
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: 122179706
ChEMBL ID
CHEMBL3585598
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 > 1000 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 = 1200 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