General Information of the Compound
Compound ID
CP0910669
Compound Name
7-Methyl-9-[(4-methylbenzyl)amino]-2-(4-morpholinyl)-4H-pyrido[1,2-a]pyrimidin-4-one
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Structure
Formula
C21H24N4O2
Molecular Weight
364.449
Canonical SMILES
Cc1ccc(CNc2cc(C)cn3c(=O)cc(N4CCOCC4)nc23)cc1
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InChI
InChI=1S/C21H24N4O2/c1-15-3-5-17(6-4-15)13-22-18-11-16(2)14-25-20(26)12-19(23-21(18)25)24-7-9-27-10-8-24/h3-6,11-12,14,22H,7-10,13H2,1-2H3
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InChIKey
NVJNRVVLQQRXKT-UHFFFAOYSA-N
Physicochemical Property
logP
2.76004
Rotatable Bonds
4
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: 122179709
ChEMBL ID
CHEMBL3585603
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 = 900 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 = 1800 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 = 640 nM
   TI
   LI
   LO
   TS