PDB CCD ID: | 51E |
Number of entries in BioLiP: | 1 |
Chemical formula: | C16 H8 Cl F N4 |
InChI: | InChI=1S/C16H8ClFN4/c17-12-4-10(7-19)3-11(5-12)15-6-16(22-9-21-15)14-2-1-13(18)8-20-14/h1-6,8-9H |
InChIKey: | FQAXDSVNYVVQSE-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
ACDLabs 12.01 | c1c(cc(cc1Cl)C#N)c2ncnc(c2)c3ccc(cn3)F | OpenEye OEToolkits 1.9.2 | c1cc(ncc1F)c2cc(ncn2)c3cc(cc(c3)Cl)C#N | CACTVS 3.385 | Fc1ccc(nc1)c2cc(ncn2)c3cc(Cl)cc(c3)C#N |
|
Name: | 3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile |
ChEMBL: | CHEMBL3603923 |
ZINC: | ZINC000220897715 |