| General Property |
| Molceule ID (DB) | EGIN0001743 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 23 Compound |
| IUPAC Name | N-(5-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 | 8.97 |
| Smiles | c12c(cc(c(c1)OC1CCN(CC1)S(=O)(=O)C)OC)ncnc2Nc1c(ccc(c1)Cl)F |
| InChI | 1S/C21H22ClFN4O4S/c1-30-19-11-17-15(10-20(19)31-14-5-7-27(8-6-14)32(2,28)29)21(25-12-24-17)26-18-9-1
3(22)3-4-16(18)23/h3-4,9-12,14H,5-8H2,1-2H3,(H,24,25,26) |
| InChIKey | VWSRFEPDKHPDEZ-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 |
44416612
|
| Drug Bank Link | - |
| ChemSpider Link | 23276033 |
| ChEMBL Link | CHEMBL213007 |
