| General Property |
| Molceule ID (DB) | EGIN0000416 |
| Inhibitor Class | Cinnamic acid metronidazole ester |
| Molecule Name in Refrence Article | 3d compound |
| IUPAC Name | 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl (2E)-3-phenylprop-2-enoate |
| Formula | C15H15N3O4 |
| Mass | 301.2973 |
| Exact Mass | 301.106256 |
| Composition | C (59.79%), H (5.02%), N (13.95%), O (21.24%) |
| Atom Count | 37 |
| PI | 11.78 |
| Smiles | c1ccccc1/C=C/C(=O)OCCn1c(ncc1N(=O)=O)C |
| InChI | 1S/C15H15N3O4/c1-12-16-11-14(18(20)21)17(12)9-10-22-15(19)8-7-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3/b8
-7+ |
| InChIKey | RHVQGNOZEPBSSD-BQYQJAHWSA-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 |
10614224
|
| Drug Bank Link | - |
| ChemSpider Link | 8789590 |
| ChEMBL Link | CHEMBL1173652 |
