General Information of the Compound
Compound ID
CP0574490
Compound Name
N-(4-methylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
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Structure
Formula
C21H27N3O2
Molecular Weight
353.466
Canonical SMILES
Cc1ccc(NC(=O)CN2CCN(CCOc3ccccc3)CC2)cc1
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InChI
InChI=1S/C21H27N3O2/c1-18-7-9-19(10-8-18)22-21(25)17-24-13-11-23(12-14-24)15-16-26-20-5-3-2-4-6-20/h2-10H,11-17H2,1H3,(H,22,25)
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InChIKey
NHMKAWRLBFPVCP-UHFFFAOYSA-N
Physicochemical Property
logP
2.63012
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).

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PubChem ID
CID: 9259741
ChEMBL ID
CHEMBL3262821
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 = 16110 nM
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