General Information of the Compound
Compound ID
CP0891906
Compound Name
7-Methyl-2-(4-morpholinyl)-9-[(4-pyridinylmethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
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Structure
Formula
C19H21N5O2
Molecular Weight
351.41
Canonical SMILES
Cc1cc(NCc2ccncc2)c2nc(N3CCOCC3)cc(=O)n2c1
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InChI
InChI=1S/C19H21N5O2/c1-14-10-16(21-12-15-2-4-20-5-3-15)19-22-17(11-18(25)24(19)13-14)23-6-8-26-9-7-23/h2-5,10-11,13,21H,6-9,12H2,1H3
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InChIKey
YRZIHLQSLNURJP-UHFFFAOYSA-N
Physicochemical Property
logP
1.84662
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
71.76
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
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: 23586721
ChEMBL ID
CHEMBL3585606
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 = 4900 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 = 4200 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 = 710 nM
   TI
   LI
   LO
   TS