General Property |
Molceule ID (DB) | EGIN0000765 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 62 compound |
IUPAC Name | 4-N-(3-bromophenyl)-6,7-dimethoxyquinazoline-2,4-diamine |
Formula | C16H15BrN4O2 |
Mass | 375.22 |
Exact Mass | 374.0378384 |
Composition | C (51.22%), H (4.03%), Br (21.3%), N (14.93%), O (8.53%) |
Atom Count | 38 |
PI | 11.4 |
Smiles | c12c(cc(c(c1)OC)OC)nc(nc2Nc1cc(ccc1)Br)N |
InChI | 1S/C16H15BrN4O2/c1-22-13-7-11-12(8-14(13)23-2)20-16(18)21-15(11)19-10-5-3-4-9(17)6-10/h3-8H,1-2H3,(H
3,18,19,20,21) |
InChIKey | WYYHXJFKSMRPCR-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 | 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 |
5328226
|
Drug Bank Link | - |
ChemSpider Link | 4485391 |
ChEMBL Link | CHEMBL93295 |