General Information of the Compound
| Compound ID |
CP0873360
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-methyl-3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-1-phenethyl-pyrrolidinium bromide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H32BrN3O
|
||||||||||||||||||
| Molecular Weight |
506.488
|
||||||||||||||||||
| Canonical SMILES |
C[N+]1(CCc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1.[Br-]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31N3O.BrH/c1-31(19-17-23-11-5-2-6-12-23)20-18-26(21-31)30-22-28(29-27(30)32,24-13-7-3-8-14-24)25-15-9-4-10-16-25;/h2-16,26H,17-22H2,1H3;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
JULMDUPZBRMFGS-UHFFFAOYSA-N
|
||||||||||||||||||
| 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