General Information of the Compound
| Compound ID |
CP0532411
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Benzhydryl-3-(4-methyl-benzyloxy)-1-aza-bicyclo[2.2.2]octane
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31NO
|
||||||||||||||||||
| Molecular Weight |
397.562
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31NO/c1-21-12-14-22(15-13-21)20-30-28-25-16-18-29(19-17-25)27(28)26(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,25-28H,16-20H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MCHFVMZJGMVKRA-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