| General Property |
| Molceule ID (DB) | EGIN0003421 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 18 compound |
| IUPAC Name | 1-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-3-(2-chloroethyl)-3-methylurea |
| Formula | C18H17BrClN5O |
| Mass | 434.717 |
| Exact Mass | 433.0305005 |
| Composition | C (49.73%), H (3.94%), Br (18.38%), Cl (8.16%), N (16.11%), O (3.68%) |
| Atom Count | 43 |
| PI | 8.58 |
| Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Br)NC(=O)N(CCCl)C |
| InChI | 1S/C18H17BrClN5O/c1-25(8-7-20)18(26)24-14-5-6-16-15(10-14)17(22-11-21-16)23-13-4-2-3-12(19)9-13/h2-6
,9-11H,7-8H2,1H3,(H,24,26)(H,21,22,23) |
| InChIKey | FAZUHUXMTHLPAZ-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 |
44412244
|
| Drug Bank Link | - |
| ChemSpider Link | 23271437 |
| ChEMBL Link | CHEMBL379047 |
