| General Property |
| Molceule ID (DB) | EGIN0002509 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 6b compound |
| IUPAC Name | (2E)-3-{5-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)quinazolin-6-yl]thiophen-2-yl}-N-hydroxyprop-2-enamide |
| Formula | C28H20ClFN4O3S |
| Mass | 547 |
| Exact Mass | 546.0928671 |
| Composition | C (61.48%), H (3.69%), Cl (6.48%), F (3.47%), N (10.24%), O (8.77%), S (5.86%) |
| Atom Count | 58 |
| PI | 6.69 |
| Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)c1ccc(s1)/C=C/C(=O)NO |
| InChI | 1S/C28H20ClFN4O3S/c29-23-14-20(5-9-25(23)37-15-17-2-1-3-19(30)12-17)33-28-22-13-18(4-8-24(22)31-16-3
2-28)26-10-6-21(38-26)7-11-27(35)34-36/h1-14,16,36H,15H2,(H,34,35)(H,31,32,33)/b11-7+ |
| InChIKey | SUBNLERWESOYMX-YRNVUSSQSA-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 | 21080629 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | PDGFR beta | InsR | Abl1 | PlK1 | PKA | CDK2 | ALL |
| Pub Chem Link |
49855569
|
| Drug Bank Link | - |
| ChemSpider Link | 26377325 |
| ChEMBL Link | CHEMBL1630108 |
