General Information of the Compound
| Compound ID |
CP0439041
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,5,8-triethyl-4,7-dihydro-1H-benzo[1,2-d:3,4-d':5,6-d'']-triimidazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H18N6
|
||||||||||||||||||
| Molecular Weight |
282.351
|
||||||||||||||||||
| Canonical SMILES |
CCc1nc2c([nH]1)c1nc(CC)[nH]c1c1nc(CC)[nH]c21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H18N6/c1-4-7-16-10-11(17-7)13-15(21-9(6-3)19-13)14-12(10)18-8(5-2)20-14/h4-6H2,1-3H3,(H,16,17)(H,18,20)(H,19,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LYALQSWCHUWEAF-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