| General Property |
| Molceule ID (DB) | EGIN0004315 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 8 compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-2-(4-fluorophenoxy)acetamide |
| Formula | C22H16BrFN4O2 |
| Mass | 467.29 |
| Exact Mass | 466.0440666 |
| Composition | C (56.55%), H (3.45%), Br (17.1%), F (4.07%), N (11.99%), O (6.85%) |
| Atom Count | 46 |
| PI | 8.21 |
| Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Br)NC(=O)COc1ccc(cc1)F |
| InChI | 1S/C22H16BrFN4O2/c23-14-2-1-3-16(10-14)28-22-19-11-17(6-9-20(19)25-13-26-22)27-21(29)12-30-18-7-4-15
(24)5-8-18/h1-11,13H,12H2,(H,27,29)(H,25,26,28) |
| InChIKey | KHWGVPOXFZQODO-UHFFFAOYSA-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 | 24648232 |
| ChEMBL Link | CHEMBL597200 |
