General Information of the Compound
Compound ID
CP0852660
Compound Name
9-(2,6-Dimethylanilino)-7-methyl-2-(4-morpholinyl)-4H-pyrido[1,2-a]pyrimidin-4-one
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Structure
Formula
C21H24N4O2
Molecular Weight
364.449
Canonical SMILES
Cc1cc(Nc2c(C)cccc2C)c2nc(N3CCOCC3)cc(=O)n2c1
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InChI
InChI=1S/C21H24N4O2/c1-14-11-17(22-20-15(2)5-4-6-16(20)3)21-23-18(12-19(26)25(21)13-14)24-7-9-27-10-8-24/h4-6,11-13,22H,7-10H2,1-3H3
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InChIKey
CFIHAKPMLHAESV-UHFFFAOYSA-N
Physicochemical Property
logP
3.19996
Rotatable Bonds
3
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: 122179708
ChEMBL ID
CHEMBL3585600
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 = 3900 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 = 2100 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 = 500 nM
   TI
   LI
   LO
   TS