General Property |
Molceule ID (DB) | EGIN0001744 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | CL-387785 |
IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}but-2-ynamide |
Formula | C18H13BrN4O |
Mass | 381.226 |
Exact Mass | 380.0272737 |
Composition | C (56.71%), H (3.44%), Br (20.96%), N (14.7%), O (4.2%) |
Atom Count | 37 |
PI | 8.1 |
Smiles | CC#CC(=O)Nc1cc2c(cc1)ncnc2Nc1cc(ccc1)Br |
InChI | 1S/C18H13BrN4O/c1-2-4-17(24)22-14-7-8-16-15(10-14)18(21-11-20-16)23-13-6-3-5-12(19)9-13/h3,5-11H,1H3
,(H,22,24)(H,20,21,23) |
InChIKey | BTYYWOYVBXILOJ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001744.png) | Structure Backbone | ![](./frame/f_EGIN0001744.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 | 20033049 |
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 |
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Drug Bank Link | - |
ChemSpider Link | 2674 |
ChEMBL Link | CHEMBL91867 |