| General Property |
| Molceule ID (DB) | EGIN0000419 |
| Inhibitor Class | Cinnamic acid metronidazole ester |
| Molecule Name in Refrence Article | 3g compound |
| IUPAC Name | 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl (2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoate |
| Formula | C18H21N3O4 |
| Mass | 343.377 |
| Exact Mass | 343.1532062 |
| Composition | C (62.96%), H (6.16%), N (12.24%), O (18.64%) |
| Atom Count | 46 |
| PI | 11.84 |
| Smiles | c1cc(ccc1/C=C/C(=O)OCCn1c(ncc1N(=O)=O)C)C(C)C |
| InChI | 1S/C18H21N3O4/c1-13(2)16-7-4-15(5-8-16)6-9-18(22)25-11-10-20-14(3)19-12-17(20)21(23)24/h4-9,12-13H,1
0-11H2,1-3H3/b9-6+ |
| InChIKey | XTUYBOXHWRYPPU-RMKNXTFCSA-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 | 25039982 |
| ChEMBL Link | CHEMBL1173714 |
