| General Property |
| Molceule ID (DB) | EGIN0002011 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 13 compound |
| IUPAC Name | (2R)-2-{[4-({1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}amino)quinazolin-5-yl]oxy}-N-methylpropanamide |
| Formula | C26H23FN6O2 |
| Mass | 470.4982 |
| Exact Mass | 470.1866522 |
| Composition | C (66.37%), H (4.93%), F (4.04%), N (17.86%), O (6.8%) |
| Atom Count | 58 |
| PI | 9.47 |
| Smiles | c12c(cccc1ncnc2Nc1cc2c(cc1)n(nc2)Cc1cccc(c1)F)O[C@@H](C(=O)NC)C |
| InChI | InChI=1S/C26H23FN6O2/c1-16(26(34)28-2)35-23-8-4-7-21-24(23)25(30-15-29-21)32-20-9-10-22-18(12-20)13-
31-33(22)14-17-5-3-6-19(27)11-17/h3-13,15-16H,14H2,1-2H3,(H,28,34)(H,29,30,32)/t16-/m1/s1 |
| InChIKey | InChIKey=WXVGRYVQNLPYBE-MRXNPFEDSA-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 | 18313293 |
| 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 |
16118035
|
| Drug Bank Link | - |
| ChemSpider Link | 17275242 |
| ChEMBL Link | CHEMBL256994 |
