| General Property |
| Molceule ID (DB) | EGIN0005052 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 10 |
| IUPAC Name | 2â€[({4â€[(3â€bromophenyl)amino]quinazolinâ€6â€yl}amino)methyl]â€4,6â€dichlorophenol |
| Formula | C21H15BrCl2N4O |
| Mass | 490.18 |
| Exact Mass | 487.980629183 |
| Composition | C (51.46%), H (3.08%), Br (16.3%), Cl (14.47%), N (11.43%), O (3.26%) |
| Atom Count | 44 |
| PI | 5.81 |
| Smiles | [H]OC1=C(C([H])=C(Cl)C([H])=C1Cl)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/C21H15BrCl2N4O/c22-13-2-1-3-16(7-13)28-21-17-9-15(4-5-19(17)26-11-27-21)25-10-12-6-14(23)8-18(24)
20(12)29/h1-9,11,25,29H,10H2,(H,26,27,28) |
| InChIKey | ZSTDSYXUZMSXGI-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 | - |
