PDB CCD ID: | W11 |
Number of entries in BioLiP: | 9 |
Chemical formula: | C18 H18 F3 N3 O3 |
InChI: | InChI=1S/C18H18F3N3O3/c1-10-7-13(16-22-17(27-24-16)18(19,20)21)8-11(2)15(10)25-6-4-5-14-9-12(3)23-26-14/h7-9H,4-6H2,1-3H3 |
InChIKey: | KQOXLKOJHVFTRN-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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ACDLabs 10.04 | FC(F)(F)c1nc(no1)c3cc(c(OCCCc2onc(c2)C)c(c3)C)C | OpenEye OEToolkits 1.5.0 | Cc1cc(cc(c1OCCCc2cc(no2)C)C)c3nc(on3)C(F)(F)F | CACTVS 3.341 | Cc1cc(CCCOc2c(C)cc(cc2C)c3noc(n3)C(F)(F)F)on1 |
|
Name: | 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE; WIN63843 |
ChEMBL: | CHEMBL29609 |
DrugBank: | DB05105 |
ZINC: | ZINC000001537619 |