General Information of the Compound
| Compound ID |
CP0374791
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Benzoic acid 8-aza-bicyclo[3.2.1]oct-6-yl ester
Show/Hide
|
||||||||||||||||||
| Synonyms |
Benzoic acid 8-aza-bicyclo[3.2.1]oct-6-yl ester
CHEMBL84113
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H17NO2
|
||||||||||||||||||
| Molecular Weight |
231.295
|
||||||||||||||||||
| Canonical SMILES |
O=C(OC1CC2CCCC1N2)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H17NO2/c16-14(10-5-2-1-3-6-10)17-13-9-11-7-4-8-12(13)15-11/h1-3,5-6,11-13,15H,4,7-9H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
AKLGENRCHBXEKW-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
Clinical Information about the Compound
Drug 1 ( Benzoic acid 8-aza-bicyclo[3.2.1]oct-6-yl ester )
| Drug Name | Benzoic acid 8-aza-bicyclo[3.2.1]oct-6-yl ester | ||
|---|---|---|---|
| Target(s) | |||