General Information of the Compound
| Compound ID |
CP0917225
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-3-(butyl(phenyl)carbamoyloxy)-1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octane bromide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H35BrN2O3
|
||||||||||||||||||
| Molecular Weight |
503.481
|
||||||||||||||||||
| Canonical SMILES |
CCCCN(C(=O)O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)c1ccccc1.[Br-]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H35N2O3.BrH/c1-2-3-16-27(23-10-6-4-7-11-23)26(29)31-25-21-28(17-14-22(25)15-18-28)19-20-30-24-12-8-5-9-13-24;/h4-13,22,25H,2-3,14-21H2,1H3;1H/q+1;/p-1/t22?,25-,28?;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JZCRAMPGFZJPOE-ZZNGFPBBSA-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