General Information of the Compound
| Compound ID |
CP0405401
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-methyl-3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-1-(2-benzyloxy-ethyl)-pyrrolidinium
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H34N3O2+
|
||||||||||||||||||
| Molecular Weight |
456.61
|
||||||||||||||||||
| Canonical SMILES |
C[N+]1(CCOCc2ccccc2)CCC(C1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H33N3O2/c1-32(19-20-34-22-24-11-5-2-6-12-24)18-17-27(21-32)31-23-29(30-28(31)33,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-16,27H,17-23H2,1H3/p+1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SNNSMXBTHSLXDC-UHFFFAOYSA-O
|
||||||||||||||||||
| 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: PT01266, Muscarinic acetylcholine receptor M3