| General Property |
| Molceule ID (DB) | EGIN0004036 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 4b compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-2-chloroacetamide |
| Formula | C16H12BrClN4O |
| Mass | 391.65 |
| Exact Mass | 389.9883014 |
| Composition | C (49.07%), H (3.09%), Br (20.4%), Cl (9.05%), N (14.31%), O (4.09%) |
| Atom Count | 35 |
| PI | 8.61 |
| Smiles | c1(c2c(ncn1)ccc(c2)NC(=O)CCl)Nc1cc(Br)ccc1 |
| InChI | 1S/C16H12BrClN4O/c17-10-2-1-3-11(6-10)22-16-13-7-12(21-15(23)8-18)4-5-14(13)19-9-20-16/h1-7,9H,8H2,(
H,21,23)(H,19,20,22) |
| InChIKey | PCOWWMQRUYKPLC-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 | 16078851 |
| 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 |
10023383
|
| Drug Bank Link | - |
| ChemSpider Link | 8198954 |
| ChEMBL Link | CHEMBL193159 |
