General Information of the Compound
| Compound ID |
CP0921557
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(3-Methoxyphenyl)-N,N,N-trimethylpropan-1-aminium iodide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H22INO
|
||||||||||||||||||
| Molecular Weight |
335.229
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(CCC[N+](C)(C)C)c1.[I-]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H22NO.HI/c1-14(2,3)10-6-8-12-7-5-9-13(11-12)15-4;/h5,7,9,11H,6,8,10H2,1-4H3;1H/q+1;/p-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HYVCZQRSWHTQIS-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