General Information of the Compound
Compound ID
CP0889365
Compound Name
4-Methyl-N-{[2-(4-morpholinyl)-4-oxo-4H-pyrido[1,2-a]-pyrimidin-9-yl]methyl}benzenesulfonamide
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Structure
Formula
C20H22N4O4S
Molecular Weight
414.487
Canonical SMILES
Cc1ccc(S(=O)(=O)NCc2cccn3c(=O)cc(N4CCOCC4)nc23)cc1
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InChI
InChI=1S/C20H22N4O4S/c1-15-4-6-17(7-5-15)29(26,27)21-14-16-3-2-8-24-19(25)13-18(22-20(16)24)23-9-11-28-12-10-23/h2-8,13,21H,9-12,14H2,1H3
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InChIKey
NHCWJMOMZJGWEI-UHFFFAOYSA-N
Physicochemical Property
logP
1.31802
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
93.01
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
29

"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: 122179697
ChEMBL ID
CHEMBL3585589
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 = 6500 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 = 7400 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 = 600 nM
   TI
   LI
   LO
   TS