General Information of the Compound
| Compound ID |
CP0880167
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-(4,5-dihydroisoxazol-3-yloxy)but-2-yn-1-yl]piperidine methiodide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H21IN2O2
|
||||||||||||||||||
| Molecular Weight |
364.227
|
||||||||||||||||||
| Canonical SMILES |
C[N+]1(CC#CCOC2=NOCC2)CCCCC1.[I-]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H21N2O2.HI/c1-15(8-3-2-4-9-15)10-5-6-11-16-13-7-12-17-14-13;/h2-4,7-12H2,1H3;1H/q+1;/p-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VFCQKOHYXBHEEJ-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