General Information of the Compound
| Compound ID |
CP0134812
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-benzo[b][1]benzazepin-11-yl-2-oxoethyl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H16N2O2
|
||||||||||||||||||
| Molecular Weight |
292.338
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)NCC(=O)N1c2ccccc2C=Cc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H16N2O2/c1-13(21)19-12-18(22)20-16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)20/h2-11H,12H2,1H3,(H,19,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
TYDIIFOJEQOKKN-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