General Information of the Compound
| Compound ID |
CP0506905
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8859596, 150
Show/Hide
|
||||||||||||||||||
| Formula |
C24H33F3N4O2S
|
||||||||||||||||||
| Molecular Weight |
498.615
|
||||||||||||||||||
| Canonical SMILES |
CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1O\N=C(/C)C(C)(C)C)C(F)(F)F)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H33F3N4O2S/c1-9-10-13-31-21(34-20(29-31)23(6,7)8)28-19(32)17-14-16(24(25,26)27)11-12-18(17)33-30-15(2)22(3,4)5/h11-12,14H,9-10,13H2,1-8H3/b28-21-,30-15+
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZNOGKJUIYYBRIS-FYKOKHORSA-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: PT00834, Cannabinoid receptor 2
Protein ID: PT02333, Cannabinoid receptor 2