General Information of the Compound
| Compound ID |
CP0848245
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-quinuclidin-3-yl 1-phenylcycloheptanecarboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H29NO2
|
||||||||||||||||||
| Molecular Weight |
327.468
|
||||||||||||||||||
| Canonical SMILES |
O=C(O[C@H]1CN2CCC1CC2)C1(c2ccccc2)CCCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H29NO2/c23-20(24-19-16-22-14-10-17(19)11-15-22)21(12-6-1-2-7-13-21)18-8-4-3-5-9-18/h3-5,8-9,17,19H,1-2,6-7,10-16H2/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VOWQGVADNCNFKU-IBGZPJMESA-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