| General Property |
| Molceule ID (DB) | EGIN0000031 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 21 compound |
| IUPAC Name | (2S)-2-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(methyl)amino]propanamide |
| Formula | C20H21ClFN5O2 |
| Mass | 417.864 |
| Exact Mass | 417.1367809 |
| Composition | C (57.49%), H (5.07%), Cl (8.48%), F (4.55%), N (16.76%), O (7.66%) |
| Atom Count | 50 |
| PI | 9.91 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cccc(c1F)Cl)OC)CN([C@@H](C)C(=O)N)C |
| InChI | 1S/C20H21ClFN5O2/c1-11(19(23)28)27(2)9-12-7-13-16(8-17(12)29-3)24-10-25-20(13)26-15-6-4-5-14(21)18(1
5)22/h4-8,10-11H,9H2,1-3H3,(H2,23,28)(H,24,25,26)/t11-/m0/s1 |
| InChIKey | LIXBPKCPMMFCNP-NSHDSACASA-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 |
11596881
|
| Drug Bank Link | - |
| ChemSpider Link | 9771641 |
| ChEMBL Link | CHEMBL207687 |
