General Information of the Compound
| Compound ID |
CP0473011
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H16N2O
|
||||||||||||||||||
| Molecular Weight |
204.273
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)NCC1CNc2ccccc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H16N2O/c1-9(15)13-7-10-6-11-4-2-3-5-12(11)14-8-10/h2-5,10,14H,6-8H2,1H3,(H,13,15)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HMJNIQILHXFWII-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