| General Property |
| Molceule ID (DB) | EGIN0000413 |
| Inhibitor Class | Cinnamic acid metronidazole ester |
| Molecule Name in Refrence Article | 3a compound |
| IUPAC Name | 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl (2E)-3-(4-fluorophenyl)prop-2-enoate |
| Formula | C15H14FN3O4 |
| Mass | 319.2878 |
| Exact Mass | 319.0968342 |
| Composition | C (56.43%), H (4.42%), F (5.95%), N (13.16%), O (20.04%) |
| Atom Count | 37 |
| PI | 11.81 |
| Smiles | c1cc(ccc1/C=C/C(=O)OCCn1c(ncc1N(=O)=O)C)F |
| InChI | 1S/C15H14FN3O4/c1-11-17-10-14(19(21)22)18(11)8-9-23-15(20)7-4-12-2-5-13(16)6-3-12/h2-7,10H,8-9H2,1H3
/b7-4+ |
| InChIKey | GZMNVFUTIXSVMI-QPJJXVBHSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 20594859 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 25037087 |
| ChEMBL Link | CHEMBL1172802 |
