General Property |
Molceule ID (DB) | EGIN0000711 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 46 compound |
IUPAC Name | N-(3-bromophenyl)-6-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 | 10.01 |
Smiles | c12c(ccc(c1)OC)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C15H12BrN3O/c1-20-12-5-6-14-13(8-12)15(18-9-17-14)19-11-4-2-3-10(16)7-11/h2-9H,1H3,(H,17,18,19) |
InChIKey | LDTMDWOXHYGMAM-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 | 7658435 | 8568816 | |
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 |
5328043
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Drug Bank Link | - |
ChemSpider Link | 4485210 |
ChEMBL Link | CHEMBL52197 |