General Information of the Compound
Compound ID
CP0250534
Compound Name
N-hexyl-5-morpholin-4-yl-2,4-dioxopyrimidine-1-carboxamide
    Show/Hide
Structure
Formula
C15H24N4O4
Molecular Weight
324.381
Canonical SMILES
CCCCCCNC(=O)n1cc(N2CCOCC2)c(=O)[nH]c1=O
    Show/Hide
InChI
InChI=1S/C15H24N4O4/c1-2-3-4-5-6-16-14(21)19-11-12(13(20)17-15(19)22)18-7-9-23-10-8-18/h11H,2-10H2,1H3,(H,16,21)(H,17,20,22)
    Show/Hide
InChIKey
RGKUHRPLIWRTSV-UHFFFAOYSA-N
Physicochemical Property
logP
0.5112
Rotatable Bonds
6
Heavy Atom Count
23
Polar Areas
96.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 71654888
ChEMBL ID
CHEMBL2333038
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: PT03047, Acid ceramidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 875 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 880 nM