| General Property |
| Molceule ID (DB) | EGIN0004318 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 11 compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-2-cyanoacetamide |
| Formula | C17H12BrN5O |
| Mass | 382.214 |
| Exact Mass | 381.0225227 |
| Composition | C (53.42%), H (3.16%), Br (20.91%), N (18.32%), O (4.19%) |
| Atom Count | 36 |
| PI | 7.25 |
| Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Br)NC(=O)CC#N |
| InChI | 1S/C17H12BrN5O/c18-11-2-1-3-12(8-11)23-17-14-9-13(22-16(24)6-7-19)4-5-15(14)20-10-21-17/h1-5,8-10H,6
H2,(H,22,24)(H,20,21,23) |
| InChIKey | HSPDFXQOPBEBRB-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 | 20151670 |
| 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 | 24644953 |
| ChEMBL Link | CHEMBL592617 |
