General Information of the Compound
| Compound ID |
CP0432187
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(diethylamino)ethyl 2-(2,6-dimethylphenyl)-2-hydroxy-2-phenylacetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H29NO3
|
||||||||||||||||||
| Molecular Weight |
355.478
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1c(C)cccc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H29NO3/c1-5-23(6-2)15-16-26-21(24)22(25,19-13-8-7-9-14-19)20-17(3)11-10-12-18(20)4/h7-14,25H,5-6,15-16H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MDXUMQALCQXJNR-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