General Information of the Compound
| Compound ID |
CP0407092
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(cyclopropylmethyl)-3-(furan-2-ylmethyl)-7-methyl-8-(thiophen-2-ylmethyl)purine-2,6-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H20N4O3S
|
||||||||||||||||||
| Molecular Weight |
396.472
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(Cc2cccs2)nc2n(Cc3ccco3)c(=O)n(CC3CC3)c(=O)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20N4O3S/c1-22-16(10-15-5-3-9-28-15)21-18-17(22)19(25)24(11-13-6-7-13)20(26)23(18)12-14-4-2-8-27-14/h2-5,8-9,13H,6-7,10-12H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VHWYUMTZLRBOPH-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