General Information of the Compound
| Compound ID |
CP0868135
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R)-3-[(Di-2-thienylacetyl)oxy]-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octane bromide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30BrNO3S2
|
||||||||||||||||||
| Molecular Weight |
548.568
|
||||||||||||||||||
| Canonical SMILES |
O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1cccs1)c1cccs1.[Br-]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30NO3S2.BrH/c28-26(25(23-9-4-17-31-23)24-10-5-18-32-24)30-22-19-27(14-11-20(22)12-15-27)13-6-16-29-21-7-2-1-3-8-21;/h1-5,7-10,17-18,20,22,25H,6,11-16,19H2;1H/q+1;/p-1/t20?,22-,27?;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QKBNQVVTYRQENH-QTQXQZBYSA-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