General Information of the Compound
| Compound ID |
CP0394012
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CAS_15998702
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H30N2O4S
|
||||||||||||||||||
| Molecular Weight |
418.559
|
||||||||||||||||||
| Canonical SMILES |
CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NC3CCCC3)c(C)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H30N2O4S/c1-14-10-15(2)13-24(12-14)29(26,27)18-8-9-20-19(11-18)16(3)21(28-20)22(25)23-17-6-4-5-7-17/h8-9,11,14-15,17H,4-7,10,12-13H2,1-3H3,(H,23,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XVKVZJRZDGREIP-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