| PDB CCD ID: | VHT |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H16 F2 N4 O5 |
| InChI: | InChI=1S/C19H16F2N4O5/c1-30-14(26)9-23-16-12-3-2-6-22-17(12)25(29)19(28)15(16)18(27)24-8-10-4-5-11(20)7-13(10)21/h2-7,23,29H,8-9H2,1H3,(H,24,27) |
| InChIKey: | DPDVGSIUVKMEDW-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | COC(=O)CNC1=C(C(=O)NCc2ccc(F)cc2F)C(=O)N(O)c3ncccc13 | | OpenEye OEToolkits 2.0.6 | COC(=O)CNC1=C(C(=O)N(c2c1cccn2)O)C(=O)NCc3ccc(cc3F)F |
|
| Name: | methyl 2-[[3-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridin-4-yl]amino]ethanoate |
| ChEMBL: | CHEMBL3288829 |
| ZINC: | ZINC000169352017 |
zhanggroup.org