| General Property |
| Molceule ID (DB) | EGIN0000262 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 2c compound |
| IUPAC Name | (2S)-3-{5-[(3-bromophenyl)amino]-1H-pyrazolo[4,3-g]quinazolin-1-yl}propane-1,2-diol |
| Formula | C18H16BrN5O2 |
| Mass | 414.256 |
| Exact Mass | 413.0487374 |
| Composition | C (52.19%), H (3.89%), Br (19.29%), N (16.91%), O (7.72%) |
| Atom Count | 42 |
| PI | 8.64 |
| Smiles | c12c(cc3c(c1)cnn3C[C@@H](CO)O)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C18H16BrN5O2/c19-12-2-1-3-13(5-12)23-18-15-4-11-7-22-24(8-14(26)9-25)17(11)6-16(15)20-10-21-18/h1
-7,10,14,25-26H,8-9H2,(H,20,21,23)/t14-/m0/s1 |
| InChIKey | YSBALMSOJQNWOI-AWEZNQCLSA-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 | 9154973 |
| 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 |
5328281
|
| Drug Bank Link | - |
| ChemSpider Link | 4485446 |
| ChEMBL Link | CHEMBL37543 |
