General Information of the Compound
| Compound ID |
CP0381648
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Amino-4-(3,4-dimethoxy-phenyl)-6-furan-2-yl-nicotinonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H15N3O3
|
||||||||||||||||||
| Molecular Weight |
321.336
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1OC)-c1cc(nc(N)c1C#N)-c1ccco1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H15N3O3/c1-22-16-6-5-11(8-17(16)23-2)12-9-14(15-4-3-7-24-15)21-18(20)13(12)10-19/h3-9H,1-2H3,(H2,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SISSERAVJMOIEL-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