| General Property |
| Molceule ID (DB) | EGIN0004726 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 19 |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[2-(morpholin-4-yl)ethoxy]quinazolin-4-amine |
| Formula | C21H22ClFN4O3 |
| Mass | 432.876 |
| Exact Mass | 432.1364465 |
| Composition | C (58.27%), H (5.12%), Cl (8.19%), F (4.39%), N (12.94%), O (11.09%) |
| Atom Count | 52 |
| PI | 11.15 |
| Smiles | c1c(c(cc2c1c(ncn2)Nc1ccc(c(c1)Cl)F)OC)OCCN1CCOCC1 |
| InChI | 1S/C21H22ClFN4O3/c1-28-19-12-18-15(11-20(19)30-9-6-27-4-7-29-8-5-27)21(25-13-24-18)26-14-2-3-17(23)1
6(22)10-14/h2-3,10-13H,4-9H2,1H3,(H,24,25,26) |
| InChIKey | STNFCUFBMSVMBL-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 | 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 |
10159951
|
| Drug Bank Link | - |
| ChemSpider Link | 8335459 |
| ChEMBL Link | CHEMBL14699 |
