| General Property |
| Molceule ID (DB) | EGIN0000572 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 44 compound |
| IUPAC Name | {2-butyl-4-chloro-1-[3-({4-[(3-ethynylphenyl)amino]-7-methoxyquinazolin-6-yl}oxy)propyl]-1H-imidazol-5-yl}methanol |
| Formula | C28H30ClN5O3 |
| Mass | 520.023 |
| Exact Mass | 519.2037176 |
| Composition | C (64.67%), H (5.81%), Cl (6.82%), N (13.47%), O (9.23%) |
| Atom Count | 67 |
| PI | 9.53 |
| Smiles | c12c(cc(c(c1)OCCCn1c(nc(c1CO)Cl)CCCC)OC)ncnc2Nc1cccc(c1)C#C |
| InChI | 1S/C28H30ClN5O3/c1-4-6-11-26-33-27(29)23(17-35)34(26)12-8-13-37-25-15-21-22(16-24(25)36-3)30-18-31-2
8(21)32-20-10-7-9-19(5-2)14-20/h2,7,9-10,14-16,18,35H,4,6,8,11-13,17H2,1,3H3,(H,30,31,32) |
| InChIKey | KHEXKUXDDIAJFV-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 | 24620045 |
| ChEMBL Link | CHEMBL551718 |
