| General Property |
| Molceule ID (DB) | EGIN0001228 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 1c compound |
| IUPAC Name | 2-chloro-N-{4-[(4,5-dichloro-2-fluorophenyl)amino]-7-[(6-fluorohexyl)oxy]quinazolin-6-yl}acetamide |
| Formula | C22H21Cl3F2N4O2 |
| Mass | 517.784 |
| Exact Mass | 516.0698155 |
| Composition | C (51.03%), H (4.09%), Cl (20.54%), F (7.34%), N (10.82%), O (6.18%) |
| Atom Count | 54 |
| PI | 8.03 |
| Smiles | c12c(cc(c(c1)NC(=O)CCl)OCCCCCCF)ncnc2Nc1c(cc(c(c1)Cl)Cl)F |
| InChI | 1S/C22H21Cl3F2N4O2/c23-11-21(32)30-19-7-13-17(10-20(19)33-6-4-2-1-3-5-26)28-12-29-22(13)31-18-9-15(2
5)14(24)8-16(18)27/h7-10,12H,1-6,11H2,(H,30,32)(H,28,29,31) |
| InChIKey | VFQDCWYOUIPBAP-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 | 17574425 |
| 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 | - |
