| General Property |
| Molceule ID (DB) | EGIN0001740 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 20 Compound |
| IUPAC Name | N-(3-chloro-2-fluorophenyl)-6-[(1-methanesulfonylpiperidin-4-yl)oxy]-7-methoxyquinazolin-4-amine |
| Formula | C21H22ClFN4O4S |
| Mass | 480.94 |
| Exact Mass | 480.1034318 |
| Composition | C (52.44%), H (4.61%), Cl (7.37%), F (3.95%), N (11.65%), O (13.31%), S (6.67%) |
| Atom Count | 54 |
| PI | 9.01 |
| Smiles | c12c(cc(c(c1)OC1CCN(CC1)S(=O)(=O)C)OC)ncnc2Nc1cccc(c1F)Cl |
| InChI | 1S/C21H22ClFN4O4S/c1-30-18-11-17-14(10-19(18)31-13-6-8-27(9-7-13)32(2,28)29)21(25-12-24-17)26-16-5-3
-4-15(22)20(16)23/h3-5,10-13H,6-9H2,1-2H3,(H,24,25,26) |
| InChIKey | BDLUIKGKNQFJIO-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 | 16806916 |
| 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 |
10005402
|
| Drug Bank Link | - |
| ChemSpider Link | 8180982 |
| ChEMBL Link | CHEMBL387265 |
