| General Property |
| Molceule ID (DB) | EGIN0000559 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 31 compound |
| IUPAC Name | 1-[3-({4-[(4-bromo-2-ethylphenyl)amino]-7-methoxyquinazolin-6-yl}oxy)propyl]-2-butyl-4-chloro-1H-imidazole-5-carbaldehyde |
| Formula | C28H31BrClN5O3 |
| Mass | 600.934 |
| Exact Mass | 599.1298802 |
| Composition | C (55.96%), H (5.2%), Br (13.3%), Cl (5.9%), N (11.65%), O (7.99%) |
| Atom Count | 69 |
| PI | 10.53 |
| Smiles | c12c(cc(c(c1)OCCCn1c(nc(c1C=O)Cl)CCCC)OC)ncnc2Nc1ccc(cc1CC)Br |
| InChI | 1S/C28H31BrClN5O3/c1-4-6-8-26-34-27(30)23(16-36)35(26)11-7-12-38-25-14-20-22(15-24(25)37-3)31-17-32-
28(20)33-21-10-9-19(29)13-18(21)5-2/h9-10,13-17H,4-8,11-12H2,1-3H3,(H,31,32,33) |
| InChIKey | QEMVTRKMUBXDJP-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
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| 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 | 18771819 |
| 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 | 24619825 |
| ChEMBL Link | CHEMBL550913 |
