General Information of the Compound
| Compound ID |
CP0819568
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-1-(2-(benzyloxy)ethyl)-3-(1-(cyclopenta-1,3-dienyl)cycloheptanecarbonyloxy)-1-azoniabicyclo[2.2.2]octane
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H40NO3+
|
||||||||||||||||||
| Molecular Weight |
450.643
|
||||||||||||||||||
| Canonical SMILES |
O=C(O[C@H]1C[N+]2(CCOCc3ccccc3)CCC1CC2)C1(C2=CC=CC2)CCCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H40NO3/c31-28(29(26-12-6-7-13-26)16-8-1-2-9-17-29)33-27-22-30(18-14-25(27)15-19-30)20-21-32-23-24-10-4-3-5-11-24/h3-7,10-12,25,27H,1-2,8-9,13-23H2/q+1/t25?,27-,30?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OMFYQFNPSPKZFA-KGBLJUBMSA-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