| General Property |
| Molceule ID (DB) | EGIN0002055 |
| Inhibitor Class | Nitro-imidazole |
| Molecule Name in Refrence Article | 1 (TX-2043) |
| IUPAC Name | (2R)-1-methoxy-3-(2-nitro-1H-imidazol-1-yl)propan-2-yl 4-({[(1E)-2,5-dioxocyclopent-3-en-1-ylidene]methyl}amino)benzoate |
| Formula | C20H18N4O7 |
| Mass | 426.3795 |
| Exact Mass | 426.117549 |
| Composition | C (56.34%), H (4.26%), N (13.14%), O (26.27%) |
| Atom Count | 49 |
| PI | 5.88 |
| Smiles | c1c(ccc(c1)N/C=C1/C(=O)C=CC1=O)C(=O)O[C@@H](COC)Cn1ccnc1[N+](=O)[O-] |
| InChI | 1S/C20H18N4O7/c1-30-12-15(11-23-9-8-21-20(23)24(28)29)31-19(27)13-2-4-14(5-3-13)22-10-16-17(25)6-7-1
8(16)26/h2-10,15,22H,11-12H2,1H3/t15-/m1/s1 |
| InChIKey | ZFHBIVUDCQWJCX-OAHLLOKOSA-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 | 18474428 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Flt1 | |
| Pub Chem Link |
44586208
|
| Drug Bank Link | - |
| ChemSpider Link | 24703160 |
| ChEMBL Link | CHEMBL484119 |
