General Information of the Compound
| Compound ID |
CP0497601
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9422235, 105
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H24F3N3O2S
|
||||||||||||||||||
| Molecular Weight |
391.459
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cc(NN2CCCCCC2)ccc1S(=O)(=O)NCC1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H24F3N3O2S/c18-17(19,20)15-11-14(22-23-9-3-1-2-4-10-23)7-8-16(15)26(24,25)21-12-13-5-6-13/h7-8,11,13,21-22H,1-6,9-10,12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
UHFKWPKIKIECRF-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