General Information of the Compound
| Compound ID |
CP0565247
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H17N3O3
|
||||||||||||||||||
| Molecular Weight |
263.297
|
||||||||||||||||||
| Canonical SMILES |
COc1nc2ccc(OC)cc2n1CCNC(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H17N3O3/c1-9(17)14-6-7-16-12-8-10(18-2)4-5-11(12)15-13(16)19-3/h4-5,8H,6-7H2,1-3H3,(H,14,17)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OSKMTHQTYBZVLY-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