| General Property |
| Molceule ID (DB) | EGIN0004800 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 11 |
| IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]-7-ethoxyquinazolin-6-yl}-3-(dimethylamino)propanamide |
| Formula | C21H23ClFN5O2 |
| Mass | 431.891 |
| Exact Mass | 431.1524309 |
| Composition | C (58.4%), H (5.37%), Cl (8.21%), F (4.4%), N (16.22%), O (7.41%) |
| Atom Count | 53 |
| PI | 10.67 |
| Smiles | c1c(c(cc2c1c(ncn2)Nc1ccc(c(c1)Cl)F)OCC)NC(=O)CCN(C)C |
| InChI | 1S/C21H23ClFN5O2/c1-4-30-19-11-17-14(10-18(19)27-20(29)7-8-28(2)3)21(25-12-24-17)26-13-5-6-16(23)15(
22)9-13/h5-6,9-12H,4,7-8H2,1-3H3,(H,27,29)(H,24,25,26) |
| InChIKey | VZTGBLZWTYWXAI-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 | 22280453 |
| 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 | 28511568 |
| ChEMBL Link | - |
