General Information of the Compound
| Compound ID |
CP0866562
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4,5-dihydroisoxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium bromide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C10H17BrN2O2
|
||||||||||||||||||
| Molecular Weight |
277.162
|
||||||||||||||||||
| Canonical SMILES |
C[N+](C)(C)CC#CCOC1=NOCC1.[Br-]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C10H17N2O2.BrH/c1-12(2,3)7-4-5-8-13-10-6-9-14-11-10;/h6-9H2,1-3H3;1H/q+1;/p-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OMZJEBASGVBPDJ-UHFFFAOYSA-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: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01516, Muscarinic acetylcholine receptor M5