General Information of the Compound
| Compound ID |
CP0536700
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1-adamantyl)-2-(1-but-3-enyl-5-phenylindol-3-yl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H34N2O
|
||||||||||||||||||
| Molecular Weight |
438.615
|
||||||||||||||||||
| Canonical SMILES |
C=CCCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H34N2O/c1-2-3-11-32-20-26(27-15-25(9-10-28(27)32)24-7-5-4-6-8-24)16-29(33)31-30-17-21-12-22(18-30)14-23(13-21)19-30/h2,4-10,15,20-23H,1,3,11-14,16-19H2,(H,31,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RXTDKOOCPFHDOD-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