| General Property |
| Molceule ID (DB) | EGIN0003418 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 15 compound |
| IUPAC Name | 1-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-3-(2-chloroethyl)urea |
| Formula | C17H15BrClN5O |
| Mass | 420.691 |
| Exact Mass | 419.0148505 |
| Composition | C (48.53%), H (3.59%), Br (18.99%), Cl (8.43%), N (16.65%), O (3.8%) |
| Atom Count | 40 |
| PI | 8.65 |
| Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Br)NC(=O)NCCCl |
| InChI | 1S/C17H15BrClN5O/c18-11-2-1-3-12(8-11)23-16-14-9-13(24-17(25)20-7-6-19)4-5-15(14)21-10-22-16/h1-5,8-
10H,6-7H2,(H2,20,24,25)(H,21,22,23) |
| InChIKey | MBAKBFMFUHKHAN-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 | 16759097 |
| 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 |
11611500
|
| Drug Bank Link | - |
| ChemSpider Link | 9786255 |
| ChEMBL Link | CHEMBL207009 |
