General Information of the Compound
Compound ID
CP0391241
Compound Name
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate
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Structure
Formula
C20H21FN2O2
Molecular Weight
340.398
Canonical SMILES
Fc1ccc(NC(=O)O[C@H]2CN3CCC2CC3)c(c1)-c1ccccc1
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InChI
InChI=1S/C20H21FN2O2/c21-16-6-7-18(17(12-16)14-4-2-1-3-5-14)22-20(24)25-19-13-23-10-8-15(19)9-11-23/h1-7,12,15,19H,8-11,13H2,(H,22,24)/t19-/m0/s1
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InChIKey
LATYFBCANWEEBS-IBGZPJMESA-N
Physicochemical Property
logP
4.1354
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: 155157200
ChEMBL ID
CHEMBL4645543
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 = 0.53 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 = 31 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 = 0.34 nM
   TI
   LI
   LO
   TS