| General Property |
| Molceule ID (DB) | EGIN0001218 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 6 compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-2-[(3R)-1,2-dithiolan-3-yl]acetamide |
| Formula | C19H17BrN4OS2 |
| Mass | 461.398 |
| Exact Mass | 460.0027152 |
| Composition | C (49.46%), H (3.71%), Br (17.32%), N (12.14%), O (3.47%), S (13.9%) |
| Atom Count | 44 |
| PI | 8.94 |
| Smiles | c12c(ccc(c1)NC(=O)C[C@H]1SSCC1)ncnc2Nc1cc(ccc1)Br |
| InChI | 1S/C19H17BrN4OS2/c20-12-2-1-3-13(8-12)24-19-16-9-14(4-5-17(16)21-11-22-19)23-18(25)10-15-6-7-26-27-1
5/h1-5,8-9,11,15H,6-7,10H2,(H,23,25)(H,21,22,24)/t15-/m0/s1 |
| InChIKey | MFUUYCMEELSIJK-HNNXBMFYSA-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 | 17154492 |
| 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 | 23276999 |
| ChEMBL Link | CHEMBL450944 |
