| General Property |
| Molceule ID (DB) | EGIN0001217 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 5 compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-5-[(3S)-1,2-dithiolan-3-yl]pentanamide |
| Formula | C22H23BrN4OS2 |
| Mass | 503.478 |
| Exact Mass | 502.0496654 |
| Composition | C (52.48%), H (4.6%), Br (15.87%), N (11.13%), O (3.18%), S (12.74%) |
| Atom Count | 53 |
| PI | 8.97 |
| Smiles | c12c(ccc(c1)NC(=O)CCCC[C@@H]1SSCC1)ncnc2Nc1cc(ccc1)Br |
| InChI | 1S/C22H23BrN4OS2/c23-15-4-3-5-16(12-15)27-22-19-13-17(8-9-20(19)24-14-25-22)26-21(28)7-2-1-6-18-10-1
1-29-30-18/h3-5,8-9,12-14,18H,1-2,6-7,10-11H2,(H,26,28)(H,24,25,27)/t18-/m0/s1 |
| InChIKey | VSIAAVPIPYALAJ-SFHVURJKSA-N |
| 2D Structure |  | Structure Backbone |  |
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| 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 | 23276946 |
| ChEMBL Link | CHEMBL217825 |
