General Information of the Compound
| Compound ID |
CP0436899
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-amino-6-(4-aminophenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H14N6O
|
||||||||||||||||||
| Molecular Weight |
318.34
|
||||||||||||||||||
| Canonical SMILES |
Nc1ccc(cc1)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H14N6O/c18-12-8-6-11(7-9-12)14-10-22-16(15(19)20-14)21-23(17(22)24)13-4-2-1-3-5-13/h1-10H,18H2,(H2,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
USBWTMHHGYJVJX-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