General Information of the Compound
| Compound ID |
CP0474642
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(6-methoxyquinolin-4-yl)ethyl]butanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H20N2O2
|
||||||||||||||||||
| Molecular Weight |
272.348
|
||||||||||||||||||
| Canonical SMILES |
CCCC(=O)NCCc1ccnc2ccc(OC)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H20N2O2/c1-3-4-16(19)18-10-8-12-7-9-17-15-6-5-13(20-2)11-14(12)15/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,18,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QPFBTHDYEIPJKI-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