| General Property |
| Molceule ID (DB) | EGIN0004660 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 35 |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-6-[(2S)-2-hydroxy-3-(methylamino)propoxy]-7-methoxyquinazolin-4-amine |
| Formula | C19H20ClFN4O3 |
| Mass | 406.839 |
| Exact Mass | 406.1207964 |
| Composition | C (56.09%), H (4.95%), Cl (8.71%), F (4.67%), N (13.77%), O (11.8%) |
| Atom Count | 48 |
| PI | 11.79 |
| Smiles | c1c(c(cc2c1c(ncn2)Nc1ccc(c(c1)Cl)F)OC)OC[C@H](CNC)O |
| InChI | 1S/C19H20ClFN4O3/c1-22-8-12(26)9-28-18-6-13-16(7-17(18)27-2)23-10-24-19(13)25-11-3-4-15(21)14(20)5-1
1/h3-7,10,12,22,26H,8-9H2,1-2H3,(H,23,24,25)/t12-/m0/s1 |
| InChIKey | WBXRECNDPTXGIZ-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 | 11459659 |
| 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 | 23150362 |
| ChEMBL Link | - |
