General Information of the Compound
Compound ID
CP0553168
Compound Name
1-carbazol-9-yl-2-(2-methylpiperidin-1-yl)ethanone
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Structure
Formula
C20H22N2O
Molecular Weight
306.409
Canonical SMILES
CC1CCCCN1CC(=O)n1c2ccccc2c2ccccc12
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InChI
InChI=1S/C20H22N2O/c1-15-8-6-7-13-21(15)14-20(23)22-18-11-4-2-9-16(18)17-10-3-5-12-19(17)22/h2-5,9-12,15H,6-8,13-14H2,1H3
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InChIKey
LWLHEWKCUGKMBK-UHFFFAOYSA-N
Physicochemical Property
logP
4.3091
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
25.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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: 2904292
ChEMBL ID
CHEMBL4800495
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: PT01198, Muscarinic acetylcholine receptor M2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 52480.75 nM
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