General Information of the Compound
Compound ID
CP0501199
Compound Name
(R)-quinuclidin-3-yl benzyl(phenyl)carbamate
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Structure
Formula
C21H24N2O2
Molecular Weight
336.435
Canonical SMILES
O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccccc1)c1ccccc1
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InChI
InChI=1S/C21H24N2O2/c24-21(25-20-16-22-13-11-18(20)12-14-22)23(19-9-5-2-6-10-19)15-17-7-3-1-4-8-17/h1-10,18,20H,11-16H2/t20-/m0/s1
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InChIKey
BDLKVZCRRROJRY-FQEVSTJZSA-N
Physicochemical Property
logP
3.924
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
32.78
Hydrogen Bond Donor Count
0
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: 9967590
SID: 14944619
ChEMBL ID
CHEMBL1777826
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 = 0.4 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 = 3.7 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 = 1.2 nM
   TI
   LI
   LO
   TS