General Information of the Compound
| Compound ID |
CP0910896
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-{Hydroxy[bis(4-methylphenyl)]methyl}-1-{2-[(phenylmethyl)oxy]ethyl}-1-azoniabicyclo[2.2.2]octane Bromide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H38BrNO2
|
||||||||||||||||||
| Molecular Weight |
536.554
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(C(O)(c2ccc(C)cc2)C23CC[N+](CCOCc4ccccc4)(CC2)CC3)cc1.[Br-]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H38NO2.BrH/c1-25-8-12-28(13-9-25)31(33,29-14-10-26(2)11-15-29)30-16-19-32(20-17-30,21-18-30)22-23-34-24-27-6-4-3-5-7-27;/h3-15,33H,16-24H2,1-2H3;1H/q+1;/p-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CFXRBEDIYVRMIQ-UHFFFAOYSA-M
|
||||||||||||||||||
| 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