| General Property |
| Molceule ID (DB) | EGIN0005057 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 15 |
| IUPAC Name | 4â€bromoâ€2â€[({4â€[(3â€chlorophenyl)amino]quinazolinâ€6â€yl}amino)methyl]phenol |
| 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 | 6.62 |
| Smiles | [H]OC1=C(C([H])=C(Br)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(Cl)=C3[H])C2=C1[H] |
| InChI | 1S/C21H16BrClN4O/c22-14-4-7-20(28)13(8-14)11-24-16-5-6-19-18(10-16)21(26-12-25-19)27-17-3-1-2-15(23)
9-17/h1-10,12,24,28H,11H2,(H,25,26,27) |
| InChIKey | ZBHAKODBKSBCNZ-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 | - |
| ChEMBL Link | - |
