General Information of the Compound
| Compound ID |
CP0390095
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8859596, 176
Show/Hide
|
||||||||||||||||||
| Formula |
C22H28F3N5O4S
|
||||||||||||||||||
| Molecular Weight |
515.558
|
||||||||||||||||||
| Canonical SMILES |
CCCCn1nc(s\c1=N\C(=O)c1cc(ccc1ON=C(CC)C(=O)ON)C(F)(F)F)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H28F3N5O4S/c1-6-8-11-30-20(35-19(28-30)21(3,4)5)27-17(31)14-12-13(22(23,24)25)9-10-16(14)34-29-15(7-2)18(32)33-26/h9-10,12H,6-8,11,26H2,1-5H3/b27-20+,29-15+
Show/Hide
|
||||||||||||||||||
| InChIKey |
OHSGYQOBHOAKCX-KHTOFDOCSA-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: PT02333, Cannabinoid receptor 2
Protein ID: PT00834, Cannabinoid receptor 2