General Information of the Compound
Compound ID
CP0321484
Compound Name
N-[6-[cyclohexyl(methyl)amino]pyrimidin-4-yl]acetamide
    Show/Hide
Structure
Formula
C13H20N4O
Molecular Weight
248.33
Canonical SMILES
CN(C1CCCCC1)c1cc(NC(C)=O)ncn1
    Show/Hide
InChI
InChI=1S/C13H20N4O/c1-10(18)16-12-8-13(15-9-14-12)17(2)11-6-4-3-5-7-11/h8-9,11H,3-7H2,1-2H3,(H,14,15,16,18)
    Show/Hide
InChIKey
RPKODPVUKSRWBO-UHFFFAOYSA-N
Physicochemical Property
logP
2.2039
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
58.12
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
18

"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: 156016176
ChEMBL ID
CHEMBL4641433
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: PT00892, Tyrosine-protein kinase JAK3
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