General Information of the Compound
| Compound ID |
CP0511846
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2S)-2-acetamido-3-methylpentanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H55NO5
|
||||||||||||||||||
| Molecular Weight |
509.772
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](NC(C)=O)C(C)CC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H55NO5/c1-6-9-11-13-14-15-16-17-18-20-25(35-30(34)28(23(4)8-3)31-24(5)32)22-27-26(29(33)36-27)21-19-12-10-7-2/h23,25-28H,6-22H2,1-5H3,(H,31,32)/t23?,25-,26-,27-,28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WOYDDTBWSDVBRX-DOYOODFSSA-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
Protein ID: PT04933, Diacylglycerol lipase-alpha