General Information of the Compound
| Compound ID |
CP0453445
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(5-chloro-1H-benzo[d]imidazol-2-yl)quinoxaline
Show/Hide
|
||||||||||||||||||
| Synonyms |
2-(5-chloro-1H-benzo[d]imidazol-2-yl)quinoxaline
CHEMBL198673
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H9ClN4
|
||||||||||||||||||
| Molecular Weight |
280.718
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc2nc([nH]c2c1)-c1cnc2ccccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H9ClN4/c16-9-5-6-12-13(7-9)20-15(19-12)14-8-17-10-3-1-2-4-11(10)18-14/h1-8H,(H,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SOUPHJBGFDZRAD-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: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3
Clinical Information about the Compound