General Information of the Compound
| Compound ID |
CP0415804
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8846730, 17
Show/Hide
|
||||||||||||||||||
| Formula |
C25H29F3N4O3S
|
||||||||||||||||||
| Molecular Weight |
522.593
|
||||||||||||||||||
| Canonical SMILES |
Cn1ccnc1COc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29F3N4O3S/c1-24(2,3)20-14-32(13-17-6-5-11-34-17)23(36-20)30-22(33)18-12-16(25(26,27)28)7-8-19(18)35-15-21-29-9-10-31(21)4/h7-10,12,14,17H,5-6,11,13,15H2,1-4H3/b30-23-/t17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CQZAVDSIOLBMIR-QMOUTEPSSA-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