| General Property |
| Molceule ID (DB) | EGIN0002012 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 14 compound |
| IUPAC Name | (2R)-2-{[4-({1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}amino)quinazolin-5-yl]oxy}-1-(morpholin-4-yl)propan-1-one |
| Formula | C29H27FN6O3 |
| Mass | 526.5615 |
| Exact Mass | 526.212867 |
| Composition | C (66.15%), H (5.17%), F (3.61%), N (15.96%), O (9.12%) |
| Atom Count | 66 |
| PI | 9.63 |
| Smiles | c12c(cccc1ncnc2Nc1cc2c(cc1)n(nc2)Cc1cccc(c1)F)O[C@@H](C(=O)N1CCOCC1)C |
| InChI | InChI=1S/C29H27FN6O3/c1-19(29(37)35-10-12-38-13-11-35)39-26-7-3-6-24-27(26)28(32-18-31-24)34-23-8-9-
25-21(15-23)16-33-36(25)17-20-4-2-5-22(30)14-20/h2-9,14-16,18-19H,10-13,17H2,1H3,(H,31,32,34)/t19-/m
1/s1 |
| InChIKey | InChIKey=PJOBQWOUMSIZKE-LJQANCHMSA-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 |
16118179
|
| Drug Bank Link | - |
| ChemSpider Link | 17275385 |
| ChEMBL Link | CHEMBL439425 |
