General Information of the Compound
Compound ID
CP0849182
Compound Name
(Rac)-7-Methyl-9-[1-(methylanilino)ethyl]-2-(4-morpholinyl)-4H-pyrido[1,2-a]pyrimidin-4-one
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Structure
Formula
C22H26N4O2
Molecular Weight
378.476
Canonical SMILES
Cc1cc(C(C)N(C)c2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1
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InChI
InChI=1S/C22H26N4O2/c1-16-13-19(17(2)24(3)18-7-5-4-6-8-18)22-23-20(14-21(27)26(22)15-16)25-9-11-28-12-10-25/h4-8,13-15,17H,9-12H2,1-3H3
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InChIKey
UYFCNCITTLQXEV-UHFFFAOYSA-N
Physicochemical Property
logP
3.03692
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
50.08
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
28

"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: 122179689
ChEMBL ID
CHEMBL3585581
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 = 1500 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 = 220 nM
   TI
   LI
   LO
   TS