General Information of the Compound
| Compound ID |
CP0309822
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-fluoro-N-[(8-methoxybenzo[e][1]benzofuran-1-yl)methyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H14FNO3
|
||||||||||||||||||
| Molecular Weight |
287.29
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2ccc3occ(CNC(=O)CF)c3c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H14FNO3/c1-20-12-4-2-10-3-5-14-16(13(10)6-12)11(9-21-14)8-18-15(19)7-17/h2-6,9H,7-8H2,1H3,(H,18,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RVGXXLUBJYLHSV-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