| PDB CCD ID: | ECV |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C20 H18 F N3 O5 |
| InChI: | InChI=1S/C20H18FN3O5/c1-22-18(25)8-13-9-28-17-7-12(21)3-4-15(17)24(13)20(27)11-2-5-16-14(6-11)23-19(26)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,25)(H,23,26)/t13-/m0/s1 |
| InChIKey: | MBKYLPOPYYLTNW-ZDUSSCGKSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CNC(=O)C[C@H]1COc2cc(F)ccc2N1C(=O)c3ccc4OCC(=O)Nc4c3 | | OpenEye OEToolkits 2.0.6 | CNC(=O)C[C@H]1COc2cc(ccc2N1C(=O)c3ccc4c(c3)NC(=O)CO4)F | | OpenEye OEToolkits 2.0.6 | CNC(=O)CC1COc2cc(ccc2N1C(=O)c3ccc4c(c3)NC(=O)CO4)F | | CACTVS 3.385 | CNC(=O)C[CH]1COc2cc(F)ccc2N1C(=O)c3ccc4OCC(=O)Nc4c3 |
|
| Name: | 2-[(3~{S})-7-fluoranyl-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide |
| ChEMBL: | CHEMBL3916929 |
| DrugBank: | DB15418 |
umich.edu