PDB CCD ID: | I15 |
Number of entries in BioLiP: | 2 |
Chemical formula: | C16 H9 F N4 O |
InChI: | InChI=1S/C16H9FN4O/c1-9-15-14(21-20-9)3-2-13(17)16(15)22-12-5-10(7-18)4-11(6-12)8-19/h2-6H,1H3,(H,20,21) |
InChIKey: | JYAHFMKZJRVTDT-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.5.0 | Cc1c2c(ccc(c2Oc3cc(cc(c3)C#N)C#N)F)[nH]n1 | ACDLabs 10.04 | N#Cc3cc(Oc1c(F)ccc2c1c(nn2)C)cc(C#N)c3 | CACTVS 3.341 | Cc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12 |
|
Name: | 5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile |
ChEMBL: | CHEMBL473119 |
DrugBank: | DB07935 |
ZINC: | ZINC000040915356 |