General Information of the Compound
| Compound ID |
CP0427282
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-ethyl-3-(3-methoxypropyl)-8-(1H-pyrrol-2-yl)-7H-purine-2,6-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H19N5O3
|
||||||||||||||||||
| Molecular Weight |
317.349
|
||||||||||||||||||
| Canonical SMILES |
CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H19N5O3/c1-3-19-14(21)11-13(20(15(19)22)8-5-9-23-2)18-12(17-11)10-6-4-7-16-10/h4,6-7,16H,3,5,8-9H2,1-2H3,(H,17,18)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OJAVXLNLLQMITF-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