General Information of the Compound
| Compound ID |
CP0450108
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8859596, 201
Show/Hide
|
||||||||||||||||||
| Formula |
C19H25F3N6O2S
|
||||||||||||||||||
| Molecular Weight |
458.51
|
||||||||||||||||||
| Canonical SMILES |
CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1NNC(N)=O)C(F)(F)F)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H25F3N6O2S/c1-5-6-9-28-17(31-15(27-28)18(2,3)4)24-14(29)12-10-11(19(20,21)22)7-8-13(12)25-26-16(23)30/h7-8,10,25H,5-6,9H2,1-4H3,(H3,23,26,30)/b24-17-
Show/Hide
|
||||||||||||||||||
| InChIKey |
RSERXDMOTMENJD-ULJHMMPZSA-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