General Information of the Compound
| Compound ID |
CP0437767
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Amino-4,6-di-furan-2-yl-nicotinonitrile
Show/Hide
|
||||||||||||||||||
| Synonyms |
2-Amino-4,6-di-furan-2-yl-nicotinonitrile
AC1MDUVT
BDBM50262441
CHEMBL506250
MCULE-1490383880
MolPort-002-903-619
SCHEMBL6252357
SR-01000003798
SR-01000003798-1
ZINC20432232
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H9N3O2
|
||||||||||||||||||
| Molecular Weight |
251.245
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(cc(-c2ccco2)c1C#N)-c1ccco1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H9N3O2/c15-8-10-9(12-3-1-5-18-12)7-11(17-14(10)16)13-4-2-6-19-13/h1-7H,(H2,16,17)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BDULELAUBSFJFH-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
Clinical Information about the Compound