General Information of the Compound
| Compound ID |
CP0437655
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-amino-2-phenyl-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24N6O2
|
||||||||||||||||||
| Molecular Weight |
416.485
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(OCCN2CCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24N6O2/c24-21-22-26-29(18-6-2-1-3-7-18)23(30)28(22)16-20(25-21)17-8-10-19(11-9-17)31-15-14-27-12-4-5-13-27/h1-3,6-11,16H,4-5,12-15H2,(H2,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SFXLMSXZEZYXTH-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