| General Property |
| Molceule ID (DB) | EGIN0002010 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 12 compound |
| IUPAC Name | (2S)-2-{[4-({1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}amino)quinazolin-5-yl]oxy}-N,N-dimethylpropanamide |
| Formula | C27H25FN6O2 |
| Mass | 484.5248 |
| Exact Mass | 484.2023023 |
| Composition | C (66.93%), H (5.2%), F (3.92%), N (17.34%), O (6.6%) |
| Atom Count | 61 |
| PI | 9.63 |
| Smiles | c12c(cccc1ncnc2Nc1cc2c(cc1)n(nc2)Cc1cccc(c1)F)O[C@H](C(=O)N(C)C)C |
| InChI | InChI=1S/C27H25FN6O2/c1-17(27(35)33(2)3)36-24-9-5-8-22-25(24)26(30-16-29-22)32-21-10-11-23-19(13-21)
14-31-34(23)15-18-6-4-7-20(28)12-18/h4-14,16-17H,15H2,1-3H3,(H,29,30,32)/t17-/m0/s1 |
| InChIKey | InChIKey=BBJFDODASSZYKE-KRWDZBQOSA-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 |
16117483
|
| Drug Bank Link | - |
| ChemSpider Link | 17274700 |
| ChEMBL Link | CHEMBL256784 |
