| General Property |
| Molceule ID (DB) | EGIN0001505 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 7a compound |
| IUPAC Name | N-[4-(4-{[4-(benzyloxy)phenyl]amino}quinazolin-6-yl)butyl]-2,2,2-trifluoro-N-(2-methanesulfonylethyl)acetamide |
| Formula | C30H31F3N4O4S |
| Mass | 600.652 |
| Exact Mass | 600.2018108 |
| Composition | C (59.99%), H (5.2%), F (9.49%), N (9.33%), O (10.65%), S (5.34%) |
| Atom Count | 73 |
| PI | 10.43 |
| Smiles | c12c(ccc(c1)CCCCN(CCS(=O)(=O)C)C(=O)C(F)(F)F)ncnc2Nc1ccc(cc1)OCc1ccccc1 |
| InChI | 1S/C30H31F3N4O4S/c1-42(39,40)18-17-37(29(38)30(31,32)33)16-6-5-7-22-10-15-27-26(19-22)28(35-21-34-27
)36-24-11-13-25(14-12-24)41-20-23-8-3-2-4-9-23/h2-4,8-15,19,21H,5-7,16-18,20H2,1H3,(H,34,35,36) |
| InChIKey | VRXDDAQTARQTNN-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 | 14684309 |
| 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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL273789 |
