| General Property |
| Molceule ID (DB) | EGIN0005069 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 27 |
| IUPAC Name | N‐{4‐[(3‐bromophenyl)amino]quinazolin‐6‐yl}‐4‐chlorobenzamide |
| Formula | C21H14BrClN4O |
| Mass | 453.719 |
| Exact Mass | 452.003951444 |
| Composition | C (55.59%), H (3.11%), Br (17.61%), Cl (7.81%), N (12.35%), O (3.53%) |
| Atom Count | 42 |
| PI | 8.39 |
| Smiles | [H]N(C(=O)C1=C([H])C([H])=C(Cl)C([H])=C1[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/C21H14BrClN4O/c22-14-2-1-3-16(10-14)26-20-18-11-17(8-9-19(18)24-12-25-20)27-21(28)13-4-6-15(23)7-
5-13/h1-12H,(H,27,28)(H,24,25,26) |
| InChIKey | AWYHTSHMPIFPGH-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 | 29397961 |
| ChEMBL Link | CHEMBL2316146 |
