General Information of the Compound
Compound ID
CP0397364
Compound Name
(4-methylphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
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Structure
Formula
C20H24N2O2
Molecular Weight
324.424
Canonical SMILES
Cc1ccc(cc1)C(=O)N1CCN(CCOc2ccccc2)CC1
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InChI
InChI=1S/C20H24N2O2/c1-17-7-9-18(10-8-17)20(23)22-13-11-21(12-14-22)15-16-24-19-5-3-2-4-6-19/h2-10H,11-16H2,1H3
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InChIKey
HCJGBLHCMQGIDA-UHFFFAOYSA-N
Physicochemical Property
logP
2.83182
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
32.78
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 90643639
ChEMBL ID
CHEMBL3262810
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 = 7140 nM
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