General Information of the Compound
| Compound ID |
CP0488347
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(3R)-1-[2-(4-chlorophenoxy)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] (2S)-2-phenyl-2-piperidin-1-ylpropanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H38ClN2O3+
|
||||||||||||||||||
| Molecular Weight |
498.087
|
||||||||||||||||||
| Canonical SMILES |
C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCOc3ccc(Cl)cc3)CCC1CC2)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H38ClN2O3/c1-29(24-8-4-2-5-9-24,31-16-6-3-7-17-31)28(33)35-27-22-32(18-14-23(27)15-19-32)20-21-34-26-12-10-25(30)11-13-26/h2,4-5,8-13,23,27H,3,6-7,14-22H2,1H3/q+1/t23?,27-,29-,32?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MKXOEYWYQYOBEQ-BNAAVTMESA-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