General Information of the Compound
| Compound ID |
CP0459214
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-1-methyl-3-(phenyl(thiophen-2-ylmethyl)carbamoyloxy)-1-azoniabicyclo[2.2.2]octane bromide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H25BrN2O2S
|
||||||||||||||||||
| Molecular Weight |
437.403
|
||||||||||||||||||
| Canonical SMILES |
[Br-].C[N+]12CCC(CC1)[C@H](C2)OC(=O)N(Cc1cccs1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H25N2O2S.BrH/c1-22-11-9-16(10-12-22)19(15-22)24-20(23)21(14-18-8-5-13-25-18)17-6-3-2-4-7-17;/h2-8,13,16,19H,9-12,14-15H2,1H3;1H/q+1;/p-1/t16?,19-,22?;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IFLRXULRZIQGMB-YEXUYRPESA-M
|
||||||||||||||||||
| 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