General Information of the Compound
| Compound ID |
CP0429845
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-benzyl-3-(furan-2-ylmethyl)-1-(2-methoxyethyl)-7-methylpurine-2,6-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22N4O4
|
||||||||||||||||||
| Molecular Weight |
394.431
|
||||||||||||||||||
| Canonical SMILES |
COCCn1c(=O)n(Cc2ccco2)c2nc(Cc3ccccc3)n(C)c2c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22N4O4/c1-23-17(13-15-7-4-3-5-8-15)22-19-18(23)20(26)24(10-12-28-2)21(27)25(19)14-16-9-6-11-29-16/h3-9,11H,10,12-14H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FPIHBXLUUOSXHR-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: PT01278, Adenosine receptor A2b