General Information of the Compound
Compound ID
CP0419332
Compound Name
N-(2-chlorophenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
    Show/Hide
Structure
Formula
C20H24ClN3O2
Molecular Weight
373.884
Canonical SMILES
Clc1ccccc1NC(=O)CN1CCN(CCOc2ccccc2)CC1
    Show/Hide
InChI
InChI=1S/C20H24ClN3O2/c21-18-8-4-5-9-19(18)22-20(25)16-24-12-10-23(11-13-24)14-15-26-17-6-2-1-3-7-17/h1-9H,10-16H2,(H,22,25)
    Show/Hide
InChIKey
ARXAEQOWLANEEB-UHFFFAOYSA-N
Physicochemical Property
logP
2.9751
Rotatable Bonds
7
Heavy Atom Count
26
Polar Areas
44.81
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: 9434363
ChEMBL ID
CHEMBL3262824
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: PT02768, Potassium voltage-gated channel subfamily A member 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 29420 nM
   TI
   LI
   LO
   TS