General Information of the Compound
Compound ID
CP0493265
Compound Name
N-acetyl-N-[2-(4-chlorophenyl)phenyl]-2-piperidin-4-ylacetamide
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Structure
Formula
C21H23ClN2O2
Molecular Weight
370.88
Canonical SMILES
CC(=O)N(C(=O)CC1CCNCC1)c1ccccc1-c1ccc(Cl)cc1
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InChI
InChI=1S/C21H23ClN2O2/c1-15(25)24(21(26)14-16-10-12-23-13-11-16)20-5-3-2-4-19(20)17-6-8-18(22)9-7-17/h2-9,16,23H,10-14H2,1H3
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InChIKey
UTRBFEBUZFEZQO-UHFFFAOYSA-N
Physicochemical Property
logP
4.2762
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
49.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 46890849
ChEMBL ID
CHEMBL1086301
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 > 10000 nM
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