General Information of the Compound
| Compound ID |
CP0414626
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(8-methoxybenzo[e][1]benzofuran-2-yl)ethyl]cyclopropanecarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H19NO3
|
||||||||||||||||||
| Molecular Weight |
309.365
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2ccc3oc(CCNC(=O)C4CC4)cc3c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19NO3/c1-22-14-6-4-12-5-7-18-17(16(12)10-14)11-15(23-18)8-9-20-19(21)13-2-3-13/h4-7,10-11,13H,2-3,8-9H2,1H3,(H,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VKYUOILGTCMHLV-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