General Information of the Compound
Compound ID
CP0577649
Compound Name
N-cyclohexyl-3-(3,4-dihydro-2H-quinolin-1-yl)propanamide
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Structure
Formula
C18H26N2O
Molecular Weight
286.419
Canonical SMILES
O=C(CCN1CCCc2ccccc12)NC1CCCCC1
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InChI
InChI=1S/C18H26N2O/c21-18(19-16-9-2-1-3-10-16)12-14-20-13-6-8-15-7-4-5-11-17(15)20/h4-5,7,11,16H,1-3,6,8-10,12-14H2,(H,19,21)
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InChIKey
MVULQCLNWNITMJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.2782
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 46682613
ChEMBL ID
CHEMBL4760823
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 = 295.12 nM
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