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 | |
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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 | 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 |