| General Property |
| Molceule ID (DB) | EGIN0005067 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 25 |
| IUPAC Name | 5â€bromoâ€Nâ€{4â€[(3â€chlorophenyl)amino]quinazolinâ€6â€yl}â€2â€hydroxybenzamide |
| Formula | C21H14BrClN4O2 |
| Mass | 469.718 |
| Exact Mass | 467.998866066 |
| Composition | C (53.7%), H (3%), Br (17.01%), Cl (7.55%), N (11.93%), O (6.81%) |
| Atom Count | 43 |
| PI | 5.72 |
| Smiles | [H]OC1=C(C([H])=C(Br)C([H])=C1[H])C(=O)N([H])C1=C([H])C2=C(N=C([H])N=C2N([H])C2=C([H])C(Cl)=C([H])C([H])=C2[H])C([H])=C1[H] |
| InChI | 1S/C21H14BrClN4O2/c22-12-4-7-19(28)17(8-12)21(29)27-15-5-6-18-16(10-15)20(25-11-24-18)26-14-3-1-2-13
(23)9-14/h1-11,28H,(H,27,29)(H,24,25,26) |
| InChIKey | POVAFMGFDWVKTR-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 29395807 |
| ChEMBL Link | CHEMBL2316144 |
