| General Property |
| Molceule ID (DB) | EGIN0000239 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 5d compound |
| IUPAC Name | N-(4-{[3-(trifluoromethyl)phenyl]amino}quinazolin-6-yl)prop-2-enamide |
| Formula | C18H13F3N4O |
| Mass | 358.3172 |
| Exact Mass | 358.1041457 |
| Composition | C (60.34%), H (3.66%), F (15.91%), N (15.64%), O (4.47%) |
| Atom Count | 39 |
| PI | 9.17 |
| Smiles | c12c(ccc(c1)NC(=O)C=C)ncnc2Nc1cccc(c1)C(F)(F)F |
| InChI | 1S/C18H13F3N4O/c1-2-16(26)24-13-6-7-15-14(9-13)17(23-10-22-15)25-12-5-3-4-11(8-12)18(19,20)21/h2-10H
,1H2,(H,24,26)(H,22,23,25) |
| InChIKey | LSYGGBSRDNYACG-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 | 10346932 |
| 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 |
10522352
|
| Drug Bank Link | - |
| ChemSpider Link | 8697748 |
| ChEMBL Link | CHEMBL53690 |
