| General Property |
| Molceule ID (DB) | EGIN0002006 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 8 compound |
| IUPAC Name | (2S)-1-(morpholin-4-yl)-2-[(4-{[1-(pyridin-2-ylmethyl)-1H-indazol-5-yl]amino}quinazolin-5-yl)oxy]propan-1-one |
| Formula | C28H27N7O3 |
| Mass | 509.5591 |
| Exact Mass | 509.2175378 |
| Composition | C (66%), H (5.34%), N (19.24%), O (9.42%) |
| Atom Count | 65 |
| PI | 9.88 |
| Smiles | c12c(cccc1ncnc2Nc1cc2c(cc1)n(nc2)Cc1ccccn1)O[C@@H](C)C(=O)N1CCOCC1 |
| InChI | InChI=1S/C28H27N7O3/c1-19(28(36)34-11-13-37-14-12-34)38-25-7-4-6-23-26(25)27(31-18-30-23)33-21-8-9-2
4-20(15-21)16-32-35(24)17-22-5-2-3-10-29-22/h2-10,15-16,18-19H,11-14,17H2,1H3,(H,30,31,33)/t19-/m0/s
1 |
| InChIKey | InChIKey=SMSWJYWJBIOKNH-IBGZPJMESA-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 |
16118034
|
| Drug Bank Link | - |
| ChemSpider Link | 17275241 |
| ChEMBL Link | CHEMBL413997 |
