| General Property |
| Molceule ID (DB) | EGIN0004479 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 5a compound |
| IUPAC Name | 2-[({4-[(3-bromophenyl)amino]quinazolin-6-yl}amino)methyl]phenol |
| Formula | C21H17BrN4O |
| Mass | 421.29 |
| Exact Mass | 420.0585738 |
| Composition | C (59.87%), H (4.07%), Br (18.97%), N (13.3%), O (3.8%) |
| Atom Count | 44 |
| PI | 6.86 |
| Smiles | n1cnc(c2c1ccc(c2)NCc1c(cccc1)O)Nc1cc(ccc1)Br |
| InChI | 1S/C21H17BrN4O/c22-15-5-3-6-17(10-15)26-21-18-11-16(8-9-19(18)24-13-25-21)23-12-14-4-1-2-7-20(14)27/
h1-11,13,23,27H,12H2,(H,24,25,26) |
| InChIKey | MCOCRVDHFMXOCU-UHFFFAOYSA-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 | 22112541 |
| 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 |
57397251
|
| Drug Bank Link | - |
| ChemSpider Link | 28431080 |
| ChEMBL Link | CHEMBL1928707 |
