General Information of the Compound
| Compound ID |
CP0440503
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8895592, 4
Show/Hide
|
||||||||||||||||||
| Formula |
C22H29ClN2O3S
|
||||||||||||||||||
| Molecular Weight |
437.005
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Cn1cc(s\c1=N/C(=O)c1cc(Cl)ccc1OCC1CCO1)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H29ClN2O3S/c1-14(2)11-25-12-19(22(3,4)5)29-21(25)24-20(26)17-10-15(23)6-7-18(17)28-13-16-8-9-27-16/h6-7,10,12,14,16H,8-9,11,13H2,1-5H3/b24-21-
Show/Hide
|
||||||||||||||||||
| InChIKey |
WSWPDLXVTSTZJL-FLFQWRMESA-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: PT02333, Cannabinoid receptor 2
Protein ID: PT00834, Cannabinoid receptor 2