General Information of the Compound
| Compound ID |
CP0465134
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]acetamide
Show/Hide
|
||||||||||||||||||
| Synonyms |
BDBM50188423
Beta,beta-dimethylmelatonin
CHEMBL206472
beta,beta-dimethylmelatonin
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H20N2O2
|
||||||||||||||||||
| Molecular Weight |
260.337
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2[nH]cc(c2c1)C(C)(C)CNC(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H20N2O2/c1-10(18)17-9-15(2,3)13-8-16-14-6-5-11(19-4)7-12(13)14/h5-8,16H,9H2,1-4H3,(H,17,18)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OMYMGFDKAPBSGB-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: PT01843, Melatonin receptor type 1A
Protein ID: PT02174, Melatonin receptor type 1B
Clinical Information about the Compound