General Information of the Compound
| Compound ID |
CP0436900
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-amino-6-(3,5-ditert-butyl-4-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H31N5O2
|
||||||||||||||||||
| Molecular Weight |
445.567
|
||||||||||||||||||
| Canonical SMILES |
COc1c(cc(cc1C(C)(C)C)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H31N5O2/c1-25(2,3)18-13-16(14-19(21(18)33-7)26(4,5)6)20-15-30-23(22(27)28-20)29-31(24(30)32)17-11-9-8-10-12-17/h8-15H,1-7H3,(H2,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SAVMBELDOOXVNX-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