PDB CCD ID: | FNZ |
Number of entries in BioLiP: | 4 |
Chemical formula: | C18 H15 F N4 O |
InChI: | InChI=1S/C18H15FN4O/c19-16-7-3-13(4-8-16)9-17(24)18(23-12-21-11-22-23)15-5-1-14(10-20)2-6-15/h1-8,11-12,17-18,24H,9H2/t17-,18+/m1/s1 |
InChIKey: | SLJZVZKQYSKYNV-MSOLQXFVSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.5.0 | c1cc(ccc1C[C@H]([C@H](c2ccc(cc2)C#N)n3cncn3)O)F | ACDLabs 10.04 | Fc1ccc(cc1)CC(O)C(c2ccc(C#N)cc2)n3ncnc3 | OpenEye OEToolkits 1.5.0 | c1cc(ccc1CC(C(c2ccc(cc2)C#N)n3cncn3)O)F | CACTVS 3.341 | O[C@H](Cc1ccc(F)cc1)[C@@H](n2cncn2)c3ccc(cc3)C#N | CACTVS 3.341 | O[CH](Cc1ccc(F)cc1)[CH](n2cncn2)c3ccc(cc3)C#N |
|
Name: | 4-[(1S,2R)-3-(4-FLUOROPHENYL)-2-HYDROXY-1-(1H-1,2,4-TRIAZOL-1-YL)PROPYL]BENZONITRILE |
ZINC: | ZINC000003604395 |