| General Property |
| Molceule ID (DB) | EGIN0004320 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 13 compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)acetamide |
| Formula | C23H16BrN5O2S |
| Mass | 506.374 |
| Exact Mass | 505.0208081 |
| Composition | C (54.55%), H (3.18%), Br (15.78%), N (13.83%), O (6.32%), S (6.33%) |
| Atom Count | 48 |
| PI | 7.97 |
| Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Br)NC(=O)Cn1c(=O)c2c(s1)cccc2 |
| InChI | 1S/C23H16BrN5O2S/c24-14-4-3-5-15(10-14)28-22-18-11-16(8-9-19(18)25-13-26-22)27-21(30)12-29-23(31)17-
6-1-2-7-20(17)32-29/h1-11,13H,12H2,(H,27,30)(H,25,26,28) |
| InChIKey | QSKTXQACKBOBKD-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 | 24649437 |
| ChEMBL Link | CHEMBL599047 |
