General Information of the Compound
| Compound ID |
CP0390680
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-quinuclidin-3-yl benzyl(4-fluorophenyl)carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23FN2O2
|
||||||||||||||||||
| Molecular Weight |
354.425
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)N(Cc1ccccc1)C(=O)O[C@H]1CN2CCC1CC2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23FN2O2/c22-18-6-8-19(9-7-18)24(14-16-4-2-1-3-5-16)21(25)26-20-15-23-12-10-17(20)11-13-23/h1-9,17,20H,10-15H2/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DUVRCCCAGVFLMM-FQEVSTJZSA-N
|
||||||||||||||||||
| Physicochemical Property |
"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 | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
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
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3