General Information of the Compound
| Compound ID |
CP0420546
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-fluoro-3-(6-pyrazol-1-ylpyrimidin-4-yl)benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H8FN5
|
||||||||||||||||||
| Molecular Weight |
265.251
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1-c1cc(ncn1)-n1cccn1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H8FN5/c15-12-3-2-10(8-16)6-11(12)13-7-14(18-9-17-13)20-5-1-4-19-20/h1-7,9H
Show/Hide
|
||||||||||||||||||
| InChIKey |
OSJDNYWTKYWUPX-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