General Information of the Compound
Compound ID
CP0852665
Compound Name
N-[2-(4-Morpholinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]benzenesulfonamide
    Show/Hide
Structure
Formula
C18H18N4O4S
Molecular Weight
386.433
Canonical SMILES
O=c1cc(N2CCOCC2)nc2c(NS(=O)(=O)c3ccccc3)cccn12
    Show/Hide
InChI
InChI=1S/C18H18N4O4S/c23-17-13-16(21-9-11-26-12-10-21)19-18-15(7-4-8-22(17)18)20-27(24,25)14-5-2-1-3-6-14/h1-8,13,20H,9-12H2
    Show/Hide
InChIKey
ISRRDHSXODUJMF-UHFFFAOYSA-N
Physicochemical Property
logP
1.3319
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
93.01
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 122179722
ChEMBL ID
CHEMBL3585620
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 > 10000 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 > 10000 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 = 1700 nM
   TI
   LI
   LO
   TS