| General Property |
| Molceule ID (DB) | EGIN0000046 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 35 compound |
| IUPAC Name | 3-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(methyl)amino]-1-(propan-2-yl)azetidine-3-carboxamide |
| Formula | C24H28ClFN6O2 |
| Mass | 486.97 |
| Exact Mass | 486.1946301 |
| Composition | C (59.19%), H (5.8%), Cl (7.28%), F (3.9%), N (17.26%), O (6.57%) |
| Atom Count | 62 |
| PI | 10.35 |
| Smiles | C1(CN(C1)C(C)C)(N(Cc1c(cc2c(c1)c(ncn2)Nc1cccc(c1F)Cl)OC)C)C(=O)N |
| InChI | 1S/C24H28ClFN6O2/c1-14(2)32-11-24(12-32,23(27)33)31(3)10-15-8-16-19(9-20(15)34-4)28-13-29-22(16)30-1
8-7-5-6-17(25)21(18)26/h5-9,13-14H,10-12H2,1-4H3,(H2,27,33)(H,28,29,30) |
| InChIKey | VUWJAUDVPQZJHG-UHFFFAOYSA-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 | 16516473 |
| 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 |
11562171
|
| Drug Bank Link | - |
| ChemSpider Link | 9736945 |
| ChEMBL Link | CHEMBL425601 |
