| General Property |
| Molceule ID (DB) | EGIN0004362 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | VANDETANIB |
| IUPAC Name | N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine |
| Formula | C22H24BrFN4O2 |
| Mass | 475.354 |
| Exact Mass | 474.1066669 |
| Composition | C (55.59%), H (5.09%), Br (16.81%), F (4%), N (11.79%), O (6.73%) |
| Atom Count | 54 |
| PI | 11.47 |
| Smiles | c1c(c(cc2c1ncnc2Nc1ccc(cc1F)Br)OC)OCC1CCN(CC1)C |
| InChI | 1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)
9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27) |
| InChIKey | UHTHHESEBZOYNR-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 | 21220477 |
| 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 |
3081361
|
| Drug Bank Link | - |
| ChemSpider Link | 2338979 |
| ChEMBL Link | CHEMBL24828 |
