General Information of the Compound
| Compound ID |
CP0419648
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9422235, 34
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H27F3N2O6S
|
||||||||||||||||||
| Molecular Weight |
492.516
|
||||||||||||||||||
| Canonical SMILES |
COCCN(CCOC)S(=O)(=O)c1ccc(Nc2cc(OC)cc(OC)c2)cc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H27F3N2O6S/c1-29-9-7-26(8-10-30-2)33(27,28)20-6-5-15(13-19(20)21(22,23)24)25-16-11-17(31-3)14-18(12-16)32-4/h5-6,11-14,25H,7-10H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NIGNSSJZUNHUFJ-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
Protein ID: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2