| General Property |
| Molceule ID (DB) | EGIN0004689 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 24 |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[2-(pyrrolidin-1-yl)ethoxy]quinazolin-4-amine |
| Formula | C21H22ClFN4O2 |
| Mass | 416.876 |
| Exact Mass | 416.1415319 |
| Composition | C (60.5%), H (5.32%), Cl (8.5%), F (4.56%), N (13.44%), O (7.68%) |
| Atom Count | 51 |
| PI | 12.3 |
| Smiles | c1c(c(cc2c1c(ncn2)Nc1ccc(c(c1)Cl)F)OC)OCCN1CCCC1 |
| InChI | 1S/C21H22ClFN4O2/c1-28-19-12-18-15(11-20(19)29-9-8-27-6-2-3-7-27)21(25-13-24-18)26-14-4-5-17(23)16(2
2)10-14/h4-5,10-13H,2-3,6-9H2,1H3,(H,24,25,26) |
| InChIKey | BLFAAYGECSULMU-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 |
19077520
|
| Drug Bank Link | - |
| ChemSpider Link | 13940750 |
| ChEMBL Link | CHEMBL57758 |
