General Information of the Compound
Compound ID
CP0349962
Compound Name
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(2-phenylphenyl)carbamate
    Show/Hide
Structure
Formula
C20H22N2O2
Molecular Weight
322.408
Canonical SMILES
O=C(Nc1ccccc1-c1ccccc1)O[C@H]1CN2CCC1CC2
    Show/Hide
InChI
InChI=1S/C20H22N2O2/c23-20(24-19-14-22-12-10-16(19)11-13-22)21-18-9-5-4-8-17(18)15-6-2-1-3-7-15/h1-9,16,19H,10-14H2,(H,21,23)/t19-/m0/s1
    Show/Hide
InChIKey
UVVAXSWZJPKXLR-IBGZPJMESA-N
Physicochemical Property
logP
3.9963
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
41.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
24

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 10567858
SID: 15595778
ChEMBL ID
CHEMBL4644670
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
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 0.56 nM
   TI
   LI
   LO
   TS
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 2 nM
   TI
   LI
   LO
   TS
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 0.36 nM
   TI
   LI
   LO
   TS