General Information of the Compound
Compound ID
CP0406797
Compound Name
2-(3-chlorophenyl)-N-(2-piperidin-4-ylethyl)benzamide
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Structure
Formula
C20H23ClN2O
Molecular Weight
342.87
Canonical SMILES
Clc1cccc(c1)-c1ccccc1C(=O)NCCC1CCNCC1
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InChI
InChI=1S/C20H23ClN2O/c21-17-5-3-4-16(14-17)18-6-1-2-7-19(18)20(24)23-13-10-15-8-11-22-12-9-15/h1-7,14-15,22H,8-13H2,(H,23,24)
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InChIKey
DAUAFMRVUHZIQJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.1265
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
41.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 46890846
ChEMBL ID
CHEMBL1086298
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: PT01310, Muscarinic acetylcholine receptor M1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 3162.28 nM
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