General Information of the Compound
| Compound ID |
CP0454928
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(3-methoxyanilino)ethyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C11H16N2O2
|
||||||||||||||||||
| Molecular Weight |
208.261
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(NCCNC(C)=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C11H16N2O2/c1-9(14)12-6-7-13-10-4-3-5-11(8-10)15-2/h3-5,8,13H,6-7H2,1-2H3,(H,12,14)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IPVYDKKJTZMETA-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