General Information of the Compound
| Compound ID |
CP0512960
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[6-(furan-2-yl)-5-pyridin-4-ylpyrazin-2-yl]-2-methylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H16N4O2
|
||||||||||||||||||
| Molecular Weight |
308.341
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C(=O)Nc1cnc(-c2ccncc2)c(n1)-c1ccco1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H16N4O2/c1-11(2)17(22)21-14-10-19-15(12-5-7-18-8-6-12)16(20-14)13-4-3-9-23-13/h3-11H,1-2H3,(H,20,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FXBWXCWDDWUCSK-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