General Information of the Compound
| Compound ID |
CP0478198
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-quinuclidin-3-yl m-tolyl(2,4,5-trifluorobenzyl)carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23F3N2O2
|
||||||||||||||||||
| Molecular Weight |
404.432
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(c1)N(Cc1cc(F)c(F)cc1F)C(=O)O[C@H]1CN2CCC1CC2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23F3N2O2/c1-14-3-2-4-17(9-14)27(12-16-10-19(24)20(25)11-18(16)23)22(28)29-21-13-26-7-5-15(21)6-8-26/h2-4,9-11,15,21H,5-8,12-13H2,1H3/t21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WRQCVLFZYUVEBT-NRFANRHFSA-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