| General Property |
| Molceule ID (DB) | EGIN0000421 |
| Inhibitor Class | Cinnamic acid metronidazole ester |
| Molecule Name in Refrence Article | 3i compound |
| IUPAC Name | 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl (2E)-3-[4-(benzyloxy)phenyl]prop-2-enoate |
| Formula | C22H21N3O5 |
| Mass | 407.4192 |
| Exact Mass | 407.1481208 |
| Composition | C (64.86%), H (5.2%), N (10.31%), O (19.64%) |
| Atom Count | 51 |
| PI | 11.87 |
| Smiles | c1cc(ccc1/C=C/C(=O)OCCn1c(ncc1N(=O)=O)C)OCc1ccccc1 |
| InChI | 1S/C22H21N3O5/c1-17-23-15-21(25(27)28)24(17)13-14-29-22(26)12-9-18-7-10-20(11-8-18)30-16-19-5-3-2-4-
6-19/h2-12,15H,13-14,16H2,1H3/b12-9+ |
| InChIKey | JONMXSMABKQCRS-FMIVXFBMSA-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 | 25036406 |
| ChEMBL Link | CHEMBL1173783 |
