| General Property |
| Molceule ID (DB) | EGIN0002512 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 7a compound |
| IUPAC Name | N-(2-aminophenyl)-5-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)quinazolin-6-yl]furan-2-carboxamide |
| Formula | C32H23ClFN5O3 |
| Mass | 580.008 |
| Exact Mass | 579.1473455 |
| Composition | C (66.27%), H (4%), Cl (6.11%), F (3.28%), N (12.07%), O (8.28%) |
| Atom Count | 65 |
| PI | 7.3 |
| Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)c1ccc(o1)C(=O)Nc1ccccc1N |
| InChI | 1S/C32H23ClFN5O3/c33-24-16-22(9-11-29(24)41-17-19-4-3-5-21(34)14-19)38-31-23-15-20(8-10-26(23)36-18-
37-31)28-12-13-30(42-28)32(40)39-27-7-2-1-6-25(27)35/h1-16,18H,17,35H2,(H,39,40)(H,36,37,38) |
| InChIKey | DWLVUAOJOFAURW-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 | 21080629 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | PKA | InsR | CDK2 | PlK1 | PDGFR beta | Abl1 | ALL |
| Pub Chem Link |
49855759
|
| Drug Bank Link | - |
| ChemSpider Link | 26376316 |
| ChEMBL Link | CHEMBL1630111 |
