General Information of the Compound
Compound ID
CP0802380
Compound Name
quinuclidin-4-yl biphenyl-2-ylcarbamate hydrochloride
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Structure
Formula
C20H23ClN2O2
Molecular Weight
358.869
Canonical SMILES
Cl.O=C(Nc1ccccc1-c1ccccc1)OC12CCN(CC1)CC2
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InChI
InChI=1S/C20H22N2O2.ClH/c23-19(24-20-10-13-22(14-11-20)15-12-20)21-18-9-5-4-8-17(18)16-6-2-1-3-7-16;/h1-9H,10-15H2,(H,21,23);1H
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InChIKey
ZUBLNWRGQSNWGQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.5622
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
41.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 9798899
SID: 14754660
ChEMBL ID
CHEMBL1779047
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
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 3 nM
   TI
   LI
   LO
   TS
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 14.5 nM
   TI
   LI
   LO
   TS
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 6 nM
   TI
   LI
   LO
   TS