General Information of the Compound
Compound ID
CP0186648
Compound Name
2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)-N-phenylacetamide
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Structure
Formula
C16H18N4O3
Molecular Weight
314.345
Canonical SMILES
O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)Nc1ccccc1
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InChI
InChI=1S/C16H18N4O3/c21-15(17-12-4-2-1-3-5-12)10-13-18-14(11-16(22)19-13)20-6-8-23-9-7-20/h1-5,11H,6-10H2,(H,17,21)(H,18,19,22)
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InChIKey
FPFCFOIMTFHSNY-UHFFFAOYSA-N
Physicochemical Property
logP
0.7877
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
87.32
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 135566741
SID: 104228093
ChEMBL ID
CHEMBL2064419
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 = 2133 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2138 nM
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
CL000146 S21 Mus musculus (Mouse)  1
1
IC50 = 42 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 42 nM
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 = 118 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 118 nM
Protein ID: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma 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
Biochemical Assays
1 IC50 > 10000 nM