| General Property |
| Molceule ID (DB) | EGIN0000585 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 14 compound |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-7-methoxy-5-[(3S)-oxolan-3-yloxy]quinazolin-4-amine |
| Formula | C19H17ClFN3O3 |
| Mass | 389.808 |
| Exact Mass | 389.0942473 |
| Composition | C (58.54%), H (4.4%), Cl (9.09%), F (4.87%), N (10.78%), O (12.31%) |
| Atom Count | 44 |
| PI | 10.02 |
| Smiles | c12c(cc(cc1O[C@H]1CCOC1)OC)ncnc2Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C19H17ClFN3O3/c1-25-13-7-16-18(17(8-13)27-12-4-5-26-9-12)19(23-10-22-16)24-11-2-3-15(21)14(20)6-1
1/h2-3,6-8,10,12H,4-5,9H2,1H3,(H,22,23,24)/t12-/m0/s1 |
| InChIKey | FSXRNYHLAZAJJI-LBPRGKRZSA-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 | 16380259 |
| 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 |
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| Drug Bank Link | - |
| ChemSpider Link | 23268235 |
| ChEMBL Link | CHEMBL204268 |
