General Information of the Compound
Compound ID
CP0576729
Compound Name
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(furan-2-ylmethyl)propanamide
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Structure
Formula
C17H20N2O2
Molecular Weight
284.359
Canonical SMILES
O=C(CCN1CCCc2ccccc12)NCc1ccco1
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InChI
InChI=1S/C17H20N2O2/c20-17(18-13-15-7-4-12-21-15)9-11-19-10-3-6-14-5-1-2-8-16(14)19/h1-2,4-5,7-8,12H,3,6,9-11,13H2,(H,18,20)
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InChIKey
MKKFLWKXSDDIKV-UHFFFAOYSA-N
Physicochemical Property
logP
2.7387
Rotatable Bonds
5
Heavy Atom Count
21
Polar Areas
45.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 109018479
ChEMBL ID
CHEMBL4778178
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 = 1122.02 nM
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