General Property |
Molceule ID (DB) | EGIN0000259 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 52 compound |
IUPAC Name | N-(3-bromophenyl)-8-methoxyquinazolin-4-amine |
Formula | C15H12BrN3O |
Mass | 330.179 |
Exact Mass | 329.0163747 |
Composition | C (54.56%), H (3.66%), Br (24.2%), N (12.73%), O (4.85%) |
Atom Count | 32 |
PI | 9.15 |
Smiles | c12c(c(ccc1)OC)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C15H12BrN3O/c1-20-13-7-3-6-12-14(13)17-9-18-15(12)19-11-5-2-4-10(16)8-11/h2-9H,1H3,(H,17,18,19) |
InChIKey | WCJIZSYSAHKAQF-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 | 7658435 | 9154973 | |
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 |
5328049
|
Drug Bank Link | - |
ChemSpider Link | 4485216 |
ChEMBL Link | CHEMBL289787 |