General Information of the Compound
| Compound ID |
CP0384080
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-4-(3-bromophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H14BrN3O
|
||||||||||||||||||
| Molecular Weight |
380.245
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1cc(-c2cccc(Br)c2)c(C#N)c(N)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H14BrN3O/c1-24-15-7-5-12(6-8-15)18-10-16(17(11-21)19(22)23-18)13-3-2-4-14(20)9-13/h2-10H,1H3,(H2,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VRGKDTFQDYCZFO-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