General Information of the Compound
| Compound ID |
CP0475721
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[2-(3-cyano-5-fluorophenyl)ethynyl]pyridine-2-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H6FN3
|
||||||||||||||||||
| Molecular Weight |
247.232
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(cc(c1)C#Cc1cccc(n1)C#N)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H6FN3/c16-13-7-11(6-12(8-13)9-17)4-5-14-2-1-3-15(10-18)19-14/h1-3,6-8H
Show/Hide
|
||||||||||||||||||
| InChIKey |
DUKGFMFYZDDUHV-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