General Information of the Compound
Compound ID |
CP0471359
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
11-[3-(5-azido-1,1-dimethylpentyl)phenoxy]undeca-5,8-dienoic acid [R-(1-hydroxypropan-2-yl)]-amide
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C27H42N4O3
|
||||||||||||||||||
Molecular Weight |
470.658
|
||||||||||||||||||
Canonical SMILES |
C[C@H](CO)NC(=O)CCC\C=C/C\C=C/CCOc1cccc(c1)C(C)(C)CCCCN=[N+]=[N-]
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C27H42N4O3/c1-23(22-32)30-26(33)17-10-8-6-4-5-7-9-13-20-34-25-16-14-15-24(21-25)27(2,3)18-11-12-19-29-31-28/h4,6-7,9,14-16,21,23,32H,5,8,10-13,17-20,22H2,1-3H3,(H,30,33)/b6-4-,9-7-/t23-/m1/s1
Show/Hide
|
||||||||||||||||||
InChIKey |
MDXFMWMSCNORCG-YUZOCMECSA-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