| PDB CCD ID: | 9EN |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C16 H20 F N3 O3 S |
| InChI: | InChI=1S/C16H20FN3O3S/c1-11(21)18-9-13-10-20(16(22)23-13)12-2-3-15(14(17)8-12)19-4-6-24-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1 |
| InChIKey: | FNDDDNOJWPQCBZ-ZDUSSCGKSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | CC(=O)NCC1CN(C(=O)O1)c2ccc(c(c2)F)N3CCSCC3 | | CACTVS 3.385 | CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(N3CCSCC3)c(F)c2 | | CACTVS 3.385 | CC(=O)NC[CH]1CN(C(=O)O1)c2ccc(N3CCSCC3)c(F)c2 | | OpenEye OEToolkits 2.0.6 | CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCSCC3 |
|
| Name: | ~{N}-[[(5~{S})-3-(3-fluoranyl-4-thiomorpholin-4-yl-phenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanamide |
| ChEMBL: | CHEMBL288149 |
| DrugBank: | DB11905 |
| ZINC: | ZINC000003810825 |
zhanggroup.org