| General Property |
| Molceule ID (DB) | EGIN0004316 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 9 compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-2-pentafluorophenoxyacetamide |
| Formula | C22H12BrF5N4O2 |
| Mass | 539.252 |
| Exact Mass | 538.0063793 |
| Composition | C (49%), H (2.24%), Br (14.82%), F (17.62%), N (10.39%), O (5.93%) |
| Atom Count | 46 |
| PI | 8.21 |
| Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Br)NC(=O)COc1c(c(c(c(c1F)F)F)F)F |
| InChI | 1S/C22H12BrF5N4O2/c23-10-2-1-3-11(6-10)32-22-13-7-12(4-5-14(13)29-9-30-22)31-15(33)8-34-21-19(27)17(
25)16(24)18(26)20(21)28/h1-7,9H,8H2,(H,31,33)(H,29,30,32) |
| InChIKey | MIODRZONQPVCRF-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 | 24649120 |
| ChEMBL Link | CHEMBL597402 |
