General Information of the Compound
Compound ID
CP0382364
Compound Name
2-[4-[2-(4-cyanophenoxy)ethyl]piperazin-1-yl]-N-phenylacetamide
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Structure
Formula
C21H24N4O2
Molecular Weight
364.449
Canonical SMILES
O=C(CN1CCN(CCOc2ccc(cc2)C#N)CC1)Nc1ccccc1
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InChI
InChI=1S/C21H24N4O2/c22-16-18-6-8-20(9-7-18)27-15-14-24-10-12-25(13-11-24)17-21(26)23-19-4-2-1-3-5-19/h1-9H,10-15,17H2,(H,23,26)
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InChIKey
BKWMBGNNMFJZEW-UHFFFAOYSA-N
Physicochemical Property
logP
2.19338
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
68.6
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 31692234
ChEMBL ID
CHEMBL3262817
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 = 9100 nM
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