General Information of the Compound
| Compound ID |
CP0456782
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(5-methyl-1H-benzo[d]imidazol-2-yl)quinoxaline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H12N4
|
||||||||||||||||||
| Molecular Weight |
260.3
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc2nc([nH]c2c1)-c1cnc2ccccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H12N4/c1-10-6-7-13-14(8-10)20-16(19-13)15-9-17-11-4-2-3-5-12(11)18-15/h2-9H,1H3,(H,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XXHWDLYNXSLQLV-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