General Information of the Compound
Compound ID
CP0125999
Compound Name
2-amino-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-1H-pyrimidin-6-one
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Structure
Formula
C16H21N7O3
Molecular Weight
359.39
Canonical SMILES
Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2CCOCC2)c(=O)[nH]1
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InChI
InChI=1S/C16H21N7O3/c17-15-18-10-11(14(24)21-15)12-9-13(22-1-5-25-6-2-22)20-16(19-12)23-3-7-26-8-4-23/h9-10H,1-8H2,(H3,17,18,21,24)
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InChIKey
FKMCCIFWUAKGRD-UHFFFAOYSA-N
Physicochemical Property
logP
-0.5177
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
122.49
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
9
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: 59507757
ChEMBL ID
CHEMBL2017976
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: PT07498, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000019 Rat1 Rattus norvegicus (Rat)  1
1
IC50 = 63 nM
   TI
   LI
   LO
   TS
Protein ID: PT06232, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000019 Rat1 Rattus norvegicus (Rat)  1
1
IC50 = 104 nM
   TI
   LI
   LO
   TS