General Information of the Compound
| Compound ID |
CP0646059
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-Butyl-8-methyl-3H-[1,2,4]triazolo[5,1-i]purine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C11H14N6
|
||||||||||||||||||
| Molecular Weight |
230.275
|
||||||||||||||||||
| Canonical SMILES |
CCCCc1nc2[nH]cnc2c2nc(C)nn12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C11H14N6/c1-3-4-5-8-15-10-9(12-6-13-10)11-14-7(2)16-17(8)11/h6H,3-5H2,1-2H3,(H,12,13)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QJMWXEZAWUTEAM-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: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3