General Property |
Molceule ID (DB) | EGIN0003480 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 19 compound |
IUPAC Name | N-(3-bromophenyl)-6-[(2E)-3-[2-(dimethylamino)ethyl]triaz-2-en-1-yl]quinazolin-4-amine |
Formula | C18H20BrN7 |
Mass | 414.302 |
Exact Mass | 413.0963563 |
Composition | C (52.18%), H (4.87%), Br (19.29%), N (23.67%) |
Atom Count | 46 |
PI | 12.28 |
Smiles | c1(c2c(ncn1)ccc(N/N=N/CCN(C)C)c2)Nc1cc(Br)ccc1 |
InChI | 1S/C18H20BrN7/c1-26(2)9-8-22-25-24-15-6-7-17-16(11-15)18(21-12-20-17)23-14-5-3-4-13(19)10-14/h3-7,10
-12H,8-9H2,1-2H3,(H,22,24)(H,20,21,23) |
InChIKey | UWEUAESWKIVNSU-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 | 13678409 |
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 |
10905749
|
Drug Bank Link | - |
ChemSpider Link | 9081008 |
ChEMBL Link | CHEMBL137534 |