General Information of the Compound
| Compound ID |
CP0515625
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-fluoro-5-(4-pyridin-2-yl-1,3-oxazol-2-yl)benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H8FN3O
|
||||||||||||||||||
| Molecular Weight |
265.247
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(cc(c1)-c1nc(co1)-c1ccccn1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H8FN3O/c16-12-6-10(8-17)5-11(7-12)15-19-14(9-20-15)13-3-1-2-4-18-13/h1-7,9H
Show/Hide
|
||||||||||||||||||
| InChIKey |
PURMTHHDJDASBS-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