General Information of the Compound
| Compound ID |
CP0858930
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-phenyl-3-[(4-pyrrolidin-1-ylbut-2-yn-1-yl)oxy]isoxazole methiodide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H21IN2O2
|
||||||||||||||||||
| Molecular Weight |
424.282
|
||||||||||||||||||
| Canonical SMILES |
C[N+]1(CC#CCOc2cc(-c3ccccc3)on2)CCCC1.[I-]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H21N2O2.HI/c1-20(11-5-6-12-20)13-7-8-14-21-18-15-17(22-19-18)16-9-3-2-4-10-16;/h2-4,9-10,15H,5-6,11-14H2,1H3;1H/q+1;/p-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HMOWQFSYVPAWFE-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: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5