| General Property |
| Molceule ID (DB) | EGIN0004313 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 6 compound |
| IUPAC Name | (2R,3S)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-3-(piperidin-1-ylmethyl)oxirane-2-carboxamide |
| Formula | C23H24BrN5O2 |
| Mass | 482.373 |
| Exact Mass | 481.1113377 |
| Composition | C (57.27%), H (5.01%), Br (16.56%), N (14.52%), O (6.63%) |
| Atom Count | 55 |
| PI | 10.16 |
| Smiles | [C@@H]1([C@@H](O1)C(=O)Nc1ccc2c(c1)c(ncn2)Nc1cc(ccc1)Br)CN1CCCCC1 |
| InChI | 1S/C23H24BrN5O2/c24-15-5-4-6-16(11-15)27-22-18-12-17(7-8-19(18)25-14-26-22)28-23(30)21-20(31-21)13-2
9-9-2-1-3-10-29/h4-8,11-12,14,20-21H,1-3,9-10,13H2,(H,28,30)(H,25,26,27)/t20-,21+/m0/s1 |
| InChIKey | KGIFCCDXPXCPKK-LEWJYISDSA-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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 24650417 |
| ChEMBL Link | CHEMBL598007 |
