| General Property |
| Molceule ID (DB) | EGIN0000431 |
| Inhibitor Class | Cinnamic acid metronidazole ester |
| Molecule Name in Refrence Article | 3s compound |
| IUPAC Name | 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl (2E)-3-(naphthalen-2-yl)prop-2-enoate |
| Formula | C19H17N3O4 |
| Mass | 351.356 |
| Exact Mass | 351.121906 |
| Composition | C (64.95%), H (4.88%), N (11.96%), O (18.21%) |
| Atom Count | 43 |
| PI | 11.74 |
| Smiles | c1c2c(ccc1/C=C/C(=O)OCCn1c(ncc1N(=O)=O)C)cccc2 |
| InChI | 1S/C19H17N3O4/c1-14-20-13-18(22(24)25)21(14)10-11-26-19(23)9-7-15-6-8-16-4-2-3-5-17(16)12-15/h2-9,12
-13H,10-11H2,1H3/b9-7+ |
| InChIKey | UKJQAMRNOQJBNJ-VQHVLOKHSA-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 25033811 |
| ChEMBL Link | CHEMBL1170459 |
