General Information of the Compound
| Compound ID |
CP0504979
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(4R,4aS,8aR)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26FN3O2
|
||||||||||||||||||
| Molecular Weight |
419.5
|
||||||||||||||||||
| Canonical SMILES |
O[C@@]1(CCN([C@@H]2CCCC[C@H]12)C(=O)c1cc(n[nH]1)-c1ccccc1F)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26FN3O2/c26-20-12-6-4-10-18(20)21-16-22(28-27-21)24(30)29-15-14-25(31,17-8-2-1-3-9-17)19-11-5-7-13-23(19)29/h1-4,6,8-10,12,16,19,23,31H,5,7,11,13-15H2,(H,27,28)/t19-,23+,25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CDGLHYPUOWFNMC-CYSDGLOUSA-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