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 | ![](./image/EGIN0004362.png) | Structure Backbone | ![](./frame/f_EGIN0004362.png) |
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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 |