| General Property |
| Molceule ID (DB) | EGIN0000418 |
| Inhibitor Class | Cinnamic acid metronidazole ester |
| Molecule Name in Refrence Article | 3f compound |
| IUPAC Name | 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl (2E)-3-(4-methoxyphenyl)prop-2-enoate |
| Formula | C16H17N3O5 |
| Mass | 331.3233 |
| Exact Mass | 331.1168207 |
| Composition | C (58%), H (5.17%), N (12.68%), O (24.14%) |
| Atom Count | 41 |
| PI | 11.87 |
| Smiles | c1cc(ccc1/C=C/C(=O)OCCn1c(ncc1N(=O)=O)C)OC |
| InChI | 1S/C16H17N3O5/c1-12-17-11-15(19(21)22)18(12)9-10-24-16(20)8-5-13-3-6-14(23-2)7-4-13/h3-8,11H,9-10H2,
1-2H3/b8-5+ |
| InChIKey | BUHRXTFCHFVRAR-VMPITWQZSA-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 | 25039981 |
| ChEMBL Link | CHEMBL1173713 |
