| General Property |
| Molceule ID (DB) | EGIN0001999 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 1 compound |
| IUPAC Name | (2R)-N,N-dimethyl-2-{[4-({3-methyl-4-[(6-methylpyridin-3-yl)oxy]phenyl}amino)quinazolin-5-yl]oxy}propanamide |
| Formula | C26H27N5O3 |
| Mass | 457.5243 |
| Exact Mass | 457.2113898 |
| Composition | C (68.25%), H (5.95%), N (15.31%), O (10.49%) |
| Atom Count | 61 |
| PI | 10.44 |
| Smiles | c12c(cccc1ncnc2Nc1cc(c(cc1)Oc1cnc(cc1)C)C)O[C@H](C)C(=O)N(C)C |
| InChI | InChI=1S/C26H27N5O3/c1-16-13-19(10-12-22(16)34-20-11-9-17(2)27-14-20)30-25-24-21(28-15-29-25)7-6-8-2
3(24)33-18(3)26(32)31(4)5/h6-15,18H,1-5H3,(H,28,29,30)/t18-/m1/s1 |
| InChIKey | InChIKey=XNXUDGXKTVZKLB-GOSISDBHSA-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 |
11712237
|
| Drug Bank Link | - |
| ChemSpider Link | 9886959 |
| ChEMBL Link | CHEMBL256362 |
