General Information of the Compound
| Compound ID |
CP0563975
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8859596, 153
Show/Hide
|
||||||||||||||||||
| Formula |
C23H31F3N4O3S
|
||||||||||||||||||
| Molecular Weight |
500.587
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)NOc1ccc(cc1C(=O)\N=c1/sc(nn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H31F3N4O3S/c1-21(2,3)19-28-30(13-15-8-7-11-32-15)20(34-19)27-18(31)16-12-14(23(24,25)26)9-10-17(16)33-29-22(4,5)6/h9-10,12,15,29H,7-8,11,13H2,1-6H3/b27-20-/t15-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KNTSUQBWFBADDQ-OUDLUEHRSA-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