General Information of the Compound
| Compound ID |
CP0426813
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1,2-dihydroacenaphthylen-1-ylmethyl)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H17NO
|
||||||||||||||||||
| Molecular Weight |
239.318
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)NCC1Cc2cccc3cccc1c23
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H17NO/c1-2-15(18)17-10-13-9-12-7-3-5-11-6-4-8-14(13)16(11)12/h3-8,13H,2,9-10H2,1H3,(H,17,18)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VBOUBBFDMXCSFH-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