General Information of the Compound
| Compound ID |
CP0571380
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,4S,7R)-5-benzyl-2-(cyclohexylmethyl)-2,5-diazabicyclo[2.2.2]octan-7-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H30N2O
|
||||||||||||||||||
| Molecular Weight |
314.473
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H]1C[C@H]2CN(CC3CCCCC3)[C@@H]1CN2Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H30N2O/c23-20-11-18-14-22(13-17-9-5-2-6-10-17)19(20)15-21(18)12-16-7-3-1-4-8-16/h1,3-4,7-8,17-20,23H,2,5-6,9-15H2/t18-,19+,20+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RZJWWNGMYMUPLH-XUVXKRRUSA-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