| General Property |
| Molceule ID (DB) | EGIN0000047 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 36 compound |
| IUPAC Name | 3-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(methyl)amino]-1-(2-methoxyethyl)azetidine-3-carboxamide |
| Formula | C24H28ClFN6O3 |
| Mass | 502.969 |
| Exact Mass | 502.1895447 |
| Composition | C (57.31%), H (5.61%), Cl (7.05%), F (3.78%), N (16.71%), O (9.54%) |
| Atom Count | 63 |
| PI | 10.05 |
| Smiles | C1(CN(C1)CCOC)(N(Cc1c(cc2c(c1)c(ncn2)Nc1cccc(c1F)Cl)OC)C)C(=O)N |
| InChI | 1S/C24H28ClFN6O3/c1-31(24(23(27)33)12-32(13-24)7-8-34-2)11-15-9-16-19(10-20(15)35-3)28-14-29-22(16)3
0-18-6-4-5-17(25)21(18)26/h4-6,9-10,14H,7-8,11-13H2,1-3H3,(H2,27,33)(H,28,29,30) |
| InChIKey | IKXPVMNZZLUFCI-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 |
11526238
|
| Drug Bank Link | - |
| ChemSpider Link | 9701024 |
| ChEMBL Link | CHEMBL207815 |
