General Information of the Compound
| Compound ID |
CP0485540
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(2-((3-(dimethylamino)-3,4-dihydro-2H-benzo[b][1,4]dioxepin-3-yl)methylamino)ethyl)cyclohexanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H32N2O3
|
||||||||||||||||||
| Molecular Weight |
348.487
|
||||||||||||||||||
| Canonical SMILES |
CN(C)C1(CNCCC2CCC(O)CC2)COc2ccccc2OC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H32N2O3/c1-22(2)20(13-21-12-11-16-7-9-17(23)10-8-16)14-24-18-5-3-4-6-19(18)25-15-20/h3-6,16-17,21,23H,7-15H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ONSBLCCSCRKRKU-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: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3