General Information of the Compound
| Compound ID |
CP0531130
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8895592, 1
Show/Hide
|
||||||||||||||||||
| Formula |
C24H34BrN3O2S
|
||||||||||||||||||
| Molecular Weight |
508.526
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Cn1cc(s\c1=N/C(=O)c1cc(Br)ccc1OC[C@@H]1CCCN1C)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H34BrN3O2S/c1-16(2)13-28-14-21(24(3,4)5)31-23(28)26-22(29)19-12-17(25)9-10-20(19)30-15-18-8-7-11-27(18)6/h9-10,12,14,16,18H,7-8,11,13,15H2,1-6H3/b26-23-/t18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RPSJSJZDPRLONT-RHGYLGJDSA-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