| General Property |
| Molceule ID (DB) | EGIN0004312 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 5 compound |
| IUPAC Name | ethyl (2R,3R)-3-({4-[(3-bromophenyl)amino]quinazolin-6-yl}carbamoyl)oxirane-2-carboxylate |
| Formula | C20H17BrN4O4 |
| Mass | 457.277 |
| Exact Mass | 456.0433177 |
| Composition | C (52.53%), H (3.75%), Br (17.47%), N (12.25%), O (14%) |
| Atom Count | 46 |
| PI | 7.08 |
| Smiles | [C@@H]1([C@@H](O1)C(=O)Nc1ccc2c(c1)c(ncn2)Nc1cc(ccc1)Br)C(=O)OCC |
| InChI | 1S/C20H17BrN4O4/c1-2-28-20(27)17-16(29-17)19(26)25-13-6-7-15-14(9-13)18(23-10-22-15)24-12-5-3-4-11(2
1)8-12/h3-10,16-17H,2H2,1H3,(H,25,26)(H,22,23,24)/t16-,17-/m1/s1 |
| InChIKey | XFFFZSNTSBIEKR-IAGOWNOFSA-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 | 20151670 |
| 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 | 24654775 |
| ChEMBL Link | CHEMBL597603 |
