General Information of the Compound
| Compound ID |
CP0424167
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[6-(furan-2-yl)-5-pyridin-4-ylpyrazin-2-yl]cyclobutanecarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H16N4O2
|
||||||||||||||||||
| Molecular Weight |
320.352
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccco1)C1CCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H16N4O2/c23-18(13-3-1-4-13)22-15-11-20-16(12-6-8-19-9-7-12)17(21-15)14-5-2-10-24-14/h2,5-11,13H,1,3-4H2,(H,21,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XCUISAPLRLETKW-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