| General Property |
| Molceule ID (DB) | EGIN0000045 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 34 compound |
| IUPAC Name | 3-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(methyl)amino]-1-methylazetidine-3-carboxamide |
| Formula | C22H24ClFN6O2 |
| Mass | 458.916 |
| Exact Mass | 458.16333 |
| Composition | C (57.58%), H (5.27%), Cl (7.73%), F (4.14%), N (18.31%), O (6.97%) |
| Atom Count | 56 |
| PI | 10.08 |
| Smiles | C1(CN(C1)C)(N(Cc1c(cc2c(c1)c(ncn2)Nc1cccc(c1F)Cl)OC)C)C(=O)N |
| InChI | 1S/C22H24ClFN6O2/c1-29-10-22(11-29,21(25)31)30(2)9-13-7-14-17(8-18(13)32-3)26-12-27-20(14)28-16-6-4-
5-15(23)19(16)24/h4-8,12H,9-11H2,1-3H3,(H2,25,31)(H,26,27,28) |
| InChIKey | SGSZBDPHZWMJPU-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 |
11532676
|
| Drug Bank Link | - |
| ChemSpider Link | 9707459 |
| ChEMBL Link | CHEMBL207718 |
