General Information of the Compound
Compound ID
CP0889364
Compound Name
2-(4-Morpholinyl)-9-(2-toluidinomethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
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Structure
Formula
C20H22N4O2
Molecular Weight
350.422
Canonical SMILES
Cc1ccccc1NCc1cccn2c(=O)cc(N3CCOCC3)nc12
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InChI
InChI=1S/C20H22N4O2/c1-15-5-2-3-7-17(15)21-14-16-6-4-8-24-19(25)13-18(22-20(16)24)23-9-11-26-12-10-23/h2-8,13,21H,9-12,14H2,1H3
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InChIKey
WGPHOYUJNCWSNH-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: 122179692
ChEMBL ID
CHEMBL3585584
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 = 1800 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 = 20 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