General Information of the Compound
Compound ID
CP0375320
Compound Name
N-benzyl-N-ethyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide
    Show/Hide
Structure
Formula
C18H24N4O3S
Molecular Weight
376.482
Canonical SMILES
CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1c[nH]cn1
    Show/Hide
InChI
InChI=1S/C18H24N4O3S/c1-2-21(13-15-6-4-3-5-7-15)18(23)16-8-10-22(11-9-16)26(24,25)17-12-19-14-20-17/h3-7,12,14,16H,2,8-11,13H2,1H3,(H,19,20)
    Show/Hide
InChIKey
OIIQBSHHISGYJN-UHFFFAOYSA-N
Physicochemical Property
logP
1.8591
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
86.37
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 71737591
ChEMBL ID
CHEMBL3329721
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: PT01516, Muscarinic acetylcholine receptor M5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS