General Information of the Compound
| Compound ID |
CP0448679
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-methoxyphenyl)-6-methyl-7H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H12N4O3
|
||||||||||||||||||
| Molecular Weight |
272.264
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-n1nc2n(cc(C)[nH]c2=O)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H12N4O3/c1-8-7-16-11(12(18)14-8)15-17(13(16)19)9-3-5-10(20-2)6-4-9/h3-7H,1-2H3,(H,14,18)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QVDMTQVZFIZXQK-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: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3