General Information of the Compound
| Compound ID |
CP0536354
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-4-(furan-3-yl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H10N4O2S
|
||||||||||||||||||
| Molecular Weight |
286.316
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(SCCO)c(C#N)c(-c2ccoc2)c1C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H10N4O2S/c14-5-9-11(8-1-3-19-7-8)10(6-15)13(17-12(9)16)20-4-2-18/h1,3,7,18H,2,4H2,(H2,16,17)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KBNKHXPSZAYJCI-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: PT01278, Adenosine receptor A2b