| General Property |
| Molceule ID (DB) | EGIN0000561 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 33 compound |
| IUPAC Name | 2-butyl-4-chloro-1-[3-({4-[(3-iodophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)propyl]-1H-imidazole-5-carbaldehyde |
| Formula | C26H27ClIN5O3 |
| Mass | 619.882 |
| Exact Mass | 619.0847109 |
| Composition | C (50.38%), H (4.39%), Cl (5.72%), I (20.47%), N (11.3%), O (7.74%) |
| Atom Count | 63 |
| PI | 10.34 |
| Smiles | c12c(cc(c(c1)OCCCn1c(nc(c1C=O)Cl)CCCC)OC)ncnc2Nc1cccc(c1)I |
| InChI | 1S/C26H27ClIN5O3/c1-3-4-9-24-32-25(27)21(15-34)33(24)10-6-11-36-23-13-19-20(14-22(23)35-2)29-16-30-2
6(19)31-18-8-5-7-17(28)12-18/h5,7-8,12-16H,3-4,6,9-11H2,1-2H3,(H,29,30,31) |
| InChIKey | VHOWBXQHWIOCNU-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 | 24619826 |
| ChEMBL Link | CHEMBL550914 |
