| General Property |
| Molceule ID (DB) | EGIN0004319 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 12 compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-2-(3-oxo-2,3-dihydro-1,2-thiazol-2-yl)acetamide |
| Formula | C19H14BrN5O2S |
| Mass | 456.316 |
| Exact Mass | 455.0051581 |
| Composition | C (50.01%), H (3.09%), Br (17.51%), N (15.35%), O (7.01%), S (7.03%) |
| Atom Count | 42 |
| PI | 7.97 |
| Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Br)NC(=O)Cn1c(=O)ccs1 |
| InChI | 1S/C19H14BrN5O2S/c20-12-2-1-3-13(8-12)24-19-15-9-14(4-5-16(15)21-11-22-19)23-17(26)10-25-18(27)6-7-2
8-25/h1-9,11H,10H2,(H,23,26)(H,21,22,24) |
| InChIKey | XEJKUBDGAQQSNP-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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 24652451 |
| ChEMBL Link | CHEMBL603266 |
