| PDB CCD ID: | HFN |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C21 H18 F3 N3 O3 |
| InChI: | InChI=1S/C21H18F3N3O3/c1-12-19(14-4-7-17-16(8-14)25-18(29)9-30-17)20(13-2-5-15(22)6-3-13)27(26-12)10-21(23,24)11-28/h2-8,28H,9-11H2,1H3,(H,25,29) |
| InChIKey: | YPCPZZOTKIPGMW-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | Cc1nn(CC(F)(F)CO)c(c2ccc(F)cc2)c1c3ccc4OCC(=O)Nc4c3 | | OpenEye OEToolkits 1.9.2 | Cc1c(c(n(n1)CC(CO)(F)F)c2ccc(cc2)F)c3ccc4c(c3)NC(=O)CO4 | | ACDLabs 12.01 | Fc1ccc(cc1)c4n(nc(c4c3ccc2OCC(=O)Nc2c3)C)CC(F)(F)CO |
|
| Name: | 6-[1-(2,2-difluoro-3-hydroxypropyl)-5-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]-2H-1,4-benzoxazin-3(4H)-one |
| ChEMBL: | CHEMBL3337829 |
| ZINC: | ZINC000200980873 |
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