General Information of the Compound
Compound ID
CP0503473
Compound Name
6-(diethylamino)-1-methyl-4-(pyrimidin-4-yl)pyridin-2(1H)-one
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Structure
Formula
C14H18N4O
Molecular Weight
258.325
Canonical SMILES
CCN(CC)c1cc(cc(=O)n1C)-c1ccncn1
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InChI
InChI=1S/C14H18N4O/c1-4-18(5-2)13-8-11(9-14(19)17(13)3)12-6-7-15-10-16-12/h6-10H,4-5H2,1-3H3
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InChIKey
YDSLUUMLFXCJOX-UHFFFAOYSA-N
Physicochemical Property
logP
1.6885
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
51.02
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
19

"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: 53326306
ChEMBL ID
CHEMBL1682838
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: PT00962, Glycogen synthase kinase-3 beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 50.1 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 2210 nM
   TI
   LI
   LO
   TS