| General Property |
| Molceule ID (DB) | EGIN0001220 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | ML01 |
| IUPAC Name | N-(4,5-dichloro-2-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine |
| Formula | C16H12Cl2FN3O2 |
| Mass | 368.19 |
| Exact Mass | 367.0290603 |
| Composition | C (52.19%), H (3.29%), Cl (19.26%), F (5.16%), N (11.41%), O (8.69%) |
| Atom Count | 36 |
| PI | 8.94 |
| Smiles | c12c(cc(c(c1)OC)OC)ncnc2Nc1c(cc(c(c1)Cl)Cl)F |
| InChI | 1S/C16H12Cl2FN3O2/c1-23-14-3-8-12(6-15(14)24-2)20-7-21-16(8)22-13-5-10(18)9(17)4-11(13)19/h3-7H,1-2H
3,(H,20,21,22) |
| InChIKey | AWSNTTSKWKZQQT-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 | 15093817 | 15186828 | 16078851 | |
| 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 |
23290441
|
| Drug Bank Link | - |
| ChemSpider Link | 13684806 |
| ChEMBL Link | CHEMBL437879 |
