| General Property |
| Molceule ID (DB) | EGIN0001062 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 16s compound |
| IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-3-[(2R)-1-(piperidin-4-yl)piperidin-2-yl]prop-2-enamide |
| Formula | C27H31BrN6O |
| Mass | 535.479 |
| Exact Mass | 534.1742723 |
| Composition | C (60.56%), H (5.84%), Br (14.92%), N (15.69%), O (2.99%) |
| Atom Count | 66 |
| PI | 12.29 |
| Smiles | c12c(ccc(c1)NC(=O)/C=C/[C@H]1CCCCN1C1CCNCC1)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C27H31BrN6O/c28-19-4-3-5-20(16-19)33-27-24-17-21(7-9-25(24)30-18-31-27)32-26(35)10-8-22-6-1-2-15-
34(22)23-11-13-29-14-12-23/h3-5,7-10,16-18,22-23,29H,1-2,6,11-15H2,(H,32,35)(H,30,31,33)/b10-8+/t22-
/m1/s1 |
| InChIKey | ZJYWFWSUHUCAQA-DQACCSDVSA-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 | 11495584 |
| 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 | - |
| ChEMBL Link | CHEMBL94109 |
