PDB CCD ID: | 196 |
Number of entries in BioLiP: | 2 |
Chemical formula: | C17 H10 F N O2 |
InChI: | InChI=1S/C17H10FNO2/c18-16-7-10(2-4-17(16)21)12-5-11-1-3-14(20)8-15(11)13(6-12)9-19/h1-8,20-21H |
InChIKey: | NSSOSHDCWCMNDM-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
ACDLabs 10.04 | Fc3cc(c2cc1ccc(O)cc1c(C#N)c2)ccc3O | CACTVS 3.341 | Oc1ccc2cc(cc(C#N)c2c1)c3ccc(O)c(F)c3 | OpenEye OEToolkits 1.5.0 | c1cc(cc2c1cc(cc2C#N)c3ccc(c(c3)F)O)O |
|
Name: | 3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXY-1-NAPHTHONITRILE |
ChEMBL: | CHEMBL192154 |
DrugBank: | DB06875 |
ZINC: | ZINC000003816518 |