General Information of the Compound
| Compound ID |
CP0527864
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
11-(3-methoxy-5-pentylphenoxy)-N-(2,2,2-trifluoroethyl)undecanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H40F3NO3
|
||||||||||||||||||
| Molecular Weight |
459.593
|
||||||||||||||||||
| Canonical SMILES |
CCCCCc1cc(OC)cc(OCCCCCCCCCCC(=O)NCC(F)(F)F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H40F3NO3/c1-3-4-11-14-21-17-22(31-2)19-23(18-21)32-16-13-10-8-6-5-7-9-12-15-24(30)29-20-25(26,27)28/h17-19H,3-16,20H2,1-2H3,(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XFWPZNMRLOWXAI-UHFFFAOYSA-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2