General Information of the Compound
| Compound ID |
CP0436297
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(4S,4aR,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-[4-(2,2,2-trifluoroethyl)morpholin-2-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H29F3N2O3
|
||||||||||||||||||
| Molecular Weight |
426.479
|
||||||||||||||||||
| Canonical SMILES |
O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)C1CN(CC(F)(F)F)CCO1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H29F3N2O3/c23-22(24,25)15-26-12-13-30-19(14-26)20(28)27-11-10-21(29,16-6-2-1-3-7-16)17-8-4-5-9-18(17)27/h1-3,6-7,17-19,29H,4-5,8-15H2/t17-,18+,19?,21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OQRATWGXJJYXEM-KXZRCVDZSA-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
Protein ID: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2