| General Property |
| Molceule ID (DB) | EGIN0000032 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 22 compound |
| IUPAC Name | (2R)-2-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(methyl)amino]-N-methylpropanamide |
| Formula | C21H23ClFN5O2 |
| Mass | 431.891 |
| Exact Mass | 431.1524309 |
| Composition | C (58.4%), H (5.37%), Cl (8.21%), F (4.4%), N (16.22%), O (7.41%) |
| Atom Count | 53 |
| PI | 9.94 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cccc(c1F)Cl)OC)CN([C@H](C)C(=O)NC)C |
| InChI | 1S/C21H23ClFN5O2/c1-12(21(29)24-2)28(3)10-13-8-14-17(9-18(13)30-4)25-11-26-20(14)27-16-7-5-6-15(22)1
9(16)23/h5-9,11-12H,10H2,1-4H3,(H,24,29)(H,25,26,27)/t12-/m1/s1 |
| InChIKey | QWNVYGCSKJLQIT-GFCCVEGCSA-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 |
11661959
|
| Drug Bank Link | - |
| ChemSpider Link | 9836694 |
| ChEMBL Link | CHEMBL211003 |
