General Information of the Compound
| Compound ID |
CP0451268
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-[2-(5-bromo-2-methoxyphenyl)ethyl]-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H22BrN5O3
|
||||||||||||||||||
| Molecular Weight |
448.321
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Br)cc1CCN1CCn2c(C1)nc1n(C)c(=O)n(C)c(=O)c21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H22BrN5O3/c1-22-17-16(18(26)23(2)19(22)27)25-9-8-24(11-15(25)21-17)7-6-12-10-13(20)4-5-14(12)28-3/h4-5,10H,6-9,11H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SFQQSYYQQQHTLO-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3