General Information of the Compound
| Compound ID |
CP0390265
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8859596, 192
Show/Hide
|
||||||||||||||||||
| Formula |
C20H26F3N5O3S
|
||||||||||||||||||
| Molecular Weight |
473.521
|
||||||||||||||||||
| Canonical SMILES |
CCCCn1nc(s\c1=N\C(=O)c1cc(ccc1NNC(=O)OC)C(F)(F)F)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H26F3N5O3S/c1-6-7-10-28-17(32-16(27-28)19(2,3)4)24-15(29)13-11-12(20(21,22)23)8-9-14(13)25-26-18(30)31-5/h8-9,11,25H,6-7,10H2,1-5H3,(H,26,30)/b24-17+
Show/Hide
|
||||||||||||||||||
| InChIKey |
WRBFBOQBYBHTHY-JJIBRWJFSA-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 | |||||||||||||||||||
| 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: PT00834, Cannabinoid receptor 2
Protein ID: PT02333, Cannabinoid receptor 2