General Information of the Compound
Compound ID
CP0859324
Compound Name
N-[2-(4-Morpholinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]-N'-phenylurea
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Structure
Formula
C19H19N5O3
Molecular Weight
365.393
Canonical SMILES
O=C(Nc1ccccc1)Nc1cccn2c(=O)cc(N3CCOCC3)nc12
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InChI
InChI=1S/C19H19N5O3/c25-17-13-16(23-9-11-27-12-10-23)22-18-15(7-4-8-24(17)18)21-19(26)20-14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H2,20,21,26)
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InChIKey
NZEXAFHCGFTLQD-UHFFFAOYSA-N
Physicochemical Property
logP
2.1751
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
87.97
Hydrogen Bond Donor Count
2
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: 122179723
ChEMBL ID
CHEMBL3585621
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 = 600 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 = 630 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 = 480 nM
   TI
   LI
   LO
   TS