| General Property |
| Molceule ID (DB) | EGIN0001511 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 14a compound |
| IUPAC Name | N-[4-(4-{[4-(benzyloxy)phenyl]amino}quinazolin-6-yl)butyl]-2,2,2-trifluoroacetamide |
| Formula | C27H25F3N4O2 |
| Mass | 494.5082 |
| Exact Mass | 494.1929607 |
| Composition | C (65.58%), H (5.1%), F (11.53%), N (11.33%), O (6.47%) |
| Atom Count | 61 |
| PI | 5.3 |
| Smiles | c12c(ccc(c1)CCCCNC(=O)C(F)(F)F)ncnc2Nc1ccc(cc1)OCc1ccccc1 |
| InChI | 1S/C27H25F3N4O2/c28-27(29,30)26(35)31-15-5-4-6-19-9-14-24-23(16-19)25(33-18-32-24)34-21-10-12-22(13-
11-21)36-17-20-7-2-1-3-8-20/h1-3,7-14,16,18H,4-6,15,17H2,(H,31,35)(H,32,33,34) |
| InChIKey | RTJPRMCKCYRFIO-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 |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL14627 |
