| General Property |
| Molceule ID (DB) | EGIN0005051 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 9 |
| IUPAC Name | 2‐[({4‐[(3‐bromophenyl)amino]quinazolin‐6‐yl}amino)methyl]‐4‐chlorophenol |
| Formula | C21H16BrClN4O |
| Mass | 455.735 |
| Exact Mass | 454.019601508 |
| Composition | C (55.34%), H (3.54%), Br (17.53%), Cl (7.78%), N (12.29%), O (3.51%) |
| Atom Count | 44 |
| PI | 6.56 |
| Smiles | [H]OC1=C(C([H])=C(Cl)C([H])=C1[H])C([H])([H])N([H])C1=C([H])C([H])=C2N=C([H])N=C(N([H])C3=C([H])C([H])=C([H])C(Br)=C3[H])C2=C1[H] |
| InChI | 1S/C21H16BrClN4O/c22-14-2-1-3-17(9-14)27-21-18-10-16(5-6-19(18)25-12-26-21)24-11-13-8-15(23)4-7-20(1
3)28/h1-10,12,24,28H,11H2,(H,25,26,27) |
| InChIKey | HAMPNQBDWBFVKS-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 | 23936329 |
| 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 | - |
| ChEMBL Link | - |
