General Information of the Compound
| Compound ID |
CP0491603
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(diethylamino)ethyl 2-cyclohexyl-2-hydroxy-2-thiophen-2-ylacetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H29NO3S
|
||||||||||||||||||
| Molecular Weight |
339.501
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)CCOC(=O)C(O)(C1CCCCC1)c1cccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H29NO3S/c1-3-19(4-2)12-13-22-17(20)18(21,16-11-8-14-23-16)15-9-6-5-7-10-15/h8,11,14-15,21H,3-7,9-10,12-13H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IEENUMOCDKBVGC-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
Protein ID: PT01156, Muscarinic acetylcholine receptor M4