General Information of the Compound
| Compound ID |
CP0442961
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-Butyl-3-ethyl-3,7-dihydro-purine-2,6-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C11H16N4O2
|
||||||||||||||||||
| Molecular Weight |
236.275
|
||||||||||||||||||
| Canonical SMILES |
CCCCn1c(=O)n(CC)c2nc[nH]c2c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C11H16N4O2/c1-3-5-6-15-10(16)8-9(13-7-12-8)14(4-2)11(15)17/h7H,3-6H2,1-2H3,(H,12,13)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YYHGXLQGUIQFST-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: PT01717, Adenosine receptor A1
Protein ID: PT01278, Adenosine receptor A2b