General Information of the Compound
| Compound ID |
CP0562150
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]-3-pyrrolidin-1-ylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H25N7O2
|
||||||||||||||||||
| Molecular Weight |
443.511
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(NC(=O)CCN2CCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25N7O2/c25-22-23-28-31(19-6-2-1-3-7-19)24(33)30(23)16-20(27-22)17-8-10-18(11-9-17)26-21(32)12-15-29-13-4-5-14-29/h1-3,6-11,16H,4-5,12-15H2,(H2,25,27)(H,26,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RCYYVGFZXIAMRF-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