General Information of the Compound
| Compound ID |
CP0889526
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-((2R,5S)-2-cyclohexyl-2-phenyl-[1,3]oxathiolan-5-yl)-1,1-dimethyl-pyrrolidinium iodide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H32INOS
|
||||||||||||||||||
| Molecular Weight |
473.464
|
||||||||||||||||||
| Canonical SMILES |
C[N+]1(C)CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1.[I-]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H32NOS.HI/c1-22(2)15-9-14-19(22)20-16-24-21(23-20,17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3,5-6,10-11,18-20H,4,7-9,12-16H2,1-2H3;1H/q+1;/p-1/t19-,20+,21-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NIWWXHZNICDGMJ-NFQNBQCWSA-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