General Information of the Compound
| Compound ID |
CP0468403
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8859596, 169
Show/Hide
|
||||||||||||||||||
| Formula |
C23H31F3N4O3S
|
||||||||||||||||||
| Molecular Weight |
500.587
|
||||||||||||||||||
| Canonical SMILES |
CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ONC(=O)C(C)(C)C)C(F)(F)F)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H31F3N4O3S/c1-8-9-12-30-20(34-19(28-30)22(5,6)7)27-17(31)15-13-14(23(24,25)26)10-11-16(15)33-29-18(32)21(2,3)4/h10-11,13H,8-9,12H2,1-7H3,(H,29,32)/b27-20-
Show/Hide
|
||||||||||||||||||
| InChIKey |
PGQIPALFIXUZFR-OOAXWGSJSA-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