General Information of the Compound
Compound ID
CP0382363
Compound Name
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylacetamide
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Structure
Formula
C20H25N3O2
Molecular Weight
339.439
Canonical SMILES
O=C(CN1CCN(CCOc2ccccc2)CC1)Nc1ccccc1
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InChI
InChI=1S/C20H25N3O2/c24-20(21-18-7-3-1-4-8-18)17-23-13-11-22(12-14-23)15-16-25-19-9-5-2-6-10-19/h1-10H,11-17H2,(H,21,24)
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InChIKey
NEZKKGRUTJJKQO-UHFFFAOYSA-N
Physicochemical Property
logP
2.3217
Rotatable Bonds
7
Heavy Atom Count
25
Polar Areas
44.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 9259800
ChEMBL ID
CHEMBL3262813
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 = 28570 nM
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