General Information of the Compound
| Compound ID |
CP0555053
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Benzhydryl-3-(2,5-dimethyl-benzyloxy)-1-aza-bicyclo[2.2.2]octane
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H33NO
|
||||||||||||||||||
| Molecular Weight |
411.589
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(C)c(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H33NO/c1-21-13-14-22(2)26(19-21)20-31-29-25-15-17-30(18-16-25)28(29)27(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-14,19,25,27-29H,15-18,20H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GETCFTYJLDUJTR-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