General Property |
Molceule ID (DB) | EGIN0003477 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 16 compound |
IUPAC Name | 6-[(2E)-3-benzyltriaz-2-en-1-yl]-N-(3-bromophenyl)quinazolin-4-amine |
Formula | C21H17BrN6 |
Mass | 433.304 |
Exact Mass | 432.0698072 |
Composition | C (58.21%), H (3.95%), Br (18.44%), N (19.4%) |
Atom Count | 45 |
PI | 10.19 |
Smiles | c1(c2c(ncn1)ccc(N/N=N/Cc1ccccc1)c2)Nc1cc(Br)ccc1 |
InChI | 1S/C21H17BrN6/c22-16-7-4-8-17(11-16)26-21-19-12-18(9-10-20(19)23-14-24-21)27-28-25-13-15-5-2-1-3-6-1
5/h1-12,14H,13H2,(H,25,27)(H,23,24,26) |
InChIKey | IEJGXNCMVRIUTE-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003477.png) | Structure Backbone | ![](./frame/f_EGIN0003477.png) |
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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 |
11080556
|
Drug Bank Link | - |
ChemSpider Link | 9255705 |
ChEMBL Link | CHEMBL424093 |