| General Property |
| Molceule ID (DB) | EGIN0003961 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 25 compound |
| IUPAC Name | N-(4-bromo-2,6-difluorophenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine |
| Formula | C21H21BrF2N4O2 |
| Mass | 479.318 |
| Exact Mass | 478.081595 |
| Composition | C (52.62%), H (4.42%), Br (16.67%), F (7.93%), N (11.69%), O (6.68%) |
| Atom Count | 51 |
| PI | 10.86 |
| Smiles | c12c(Nc3c(cc(cc3F)Br)F)ncnc1cc(c(c2)OC)OCC1CCNCC1 |
| InChI | 1S/C21H21BrF2N4O2/c1-29-18-8-14-17(9-19(18)30-10-12-2-4-25-5-3-12)26-11-27-21(14)28-20-15(23)6-13(22
)7-16(20)24/h6-9,11-12,25H,2-5,10H2,1H3,(H,26,27,28) |
| InChIKey | PBESGEKOQIKSKI-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 | 11881999 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | KDR | FGFR | Flt1 | ALL |
| Pub Chem Link |
5329051
|
| Drug Bank Link | - |
| ChemSpider Link | 4486213 |
| ChEMBL Link | CHEMBL279459 |
