| General Property |
| Molceule ID (DB) | EGIN0001219 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 7 compound |
| IUPAC Name | (3R)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-1,2-dithiolane-3-carboxamide |
| Formula | C18H15BrN4OS2 |
| Mass | 447.372 |
| Exact Mass | 445.9870651 |
| Composition | C (48.33%), H (3.38%), Br (17.86%), N (12.52%), O (3.58%), S (14.33%) |
| Atom Count | 41 |
| PI | 8.63 |
| Smiles | c12c(ccc(c1)NC(=O)[C@@H]1SSCC1)ncnc2Nc1cc(ccc1)Br |
| InChI | 1S/C18H15BrN4OS2/c19-11-2-1-3-12(8-11)22-17-14-9-13(4-5-15(14)20-10-21-17)23-18(24)16-6-7-25-26-16/h
1-5,8-10,16H,6-7H2,(H,23,24)(H,20,21,22)/t16-/m1/s1 |
| InChIKey | LMKVUAKMZVPHNQ-MRXNPFEDSA-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 |
14902286
|
| Drug Bank Link | - |
| ChemSpider Link | 17343489 |
| ChEMBL Link | CHEMBL217536 |
