General Information of the Compound
Compound ID
CP0497888
Compound Name
2-(3-chlorophenyl)-N-(2-piperidin-1-ylphenyl)acetamide
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Structure
Formula
C19H21ClN2O
Molecular Weight
328.843
Canonical SMILES
Clc1cccc(CC(=O)Nc2ccccc2N2CCCCC2)c1
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InChI
InChI=1S/C19H21ClN2O/c20-16-8-6-7-15(13-16)14-19(23)21-17-9-2-3-10-18(17)22-11-4-1-5-12-22/h2-3,6-10,13H,1,4-5,11-12,14H2,(H,21,23)
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InChIKey
ZXVSTEJRLFCQEK-UHFFFAOYSA-N
Physicochemical Property
logP
4.5115
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
23

"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: 53384828
SID: 144218229
ChEMBL ID
CHEMBL2163670
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: PT03912, Potassium voltage-gated channel subfamily KQT member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 7090 nM
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