General Information of the Compound
| Compound ID |
CP0431010
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H21NO2
|
||||||||||||||||||
| Molecular Weight |
283.371
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)NCC1CCc2c(OC)ccc3cccc1c23
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H21NO2/c1-3-17(20)19-11-13-7-9-15-16(21-2)10-8-12-5-4-6-14(13)18(12)15/h4-6,8,10,13H,3,7,9,11H2,1-2H3,(H,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XXKKFOXRLNKBFZ-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