General Information of the Compound
| Compound ID |
CP0910936
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
quinuclidin-3-one O-[4-(isoxazol-3-yloxy)but-2-yn-1-yl]oxime methiodide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H20IN3O3
|
||||||||||||||||||
| Molecular Weight |
417.247
|
||||||||||||||||||
| Canonical SMILES |
C[N+]12CCC(CC1)/C(=N/OCC#CCOc1ccon1)C2.[I-]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H20N3O3.HI/c1-18-7-4-13(5-8-18)14(12-18)16-20-10-3-2-9-19-15-6-11-21-17-15;/h6,11,13H,4-5,7-10,12H2,1H3;1H/q+1;/p-1/b16-14+;
Show/Hide
|
||||||||||||||||||
| InChIKey |
SHNGDBDNFQNEDJ-BACBYAOASA-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