General Information of the Compound
| Compound ID |
CP0383017
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-6-(2-hydroxyethylamino)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H11N5OS
|
||||||||||||||||||
| Molecular Weight |
285.332
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(NCCO)c(C#N)c(-c2cccs2)c1C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H11N5OS/c14-6-8-11(10-2-1-5-20-10)9(7-15)13(17-3-4-19)18-12(8)16/h1-2,5,19H,3-4H2,(H3,16,17,18)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WCIVZDIGPVNRFS-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