| General Property |
| Molceule ID (DB) | EGIN0001230 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 1d compound |
| IUPAC Name | (2E)-N-{4-[(4,5-dichloro-2-fluorophenyl)amino]-7-(4-fluorobutoxy)quinazolin-6-yl}-4-(dimethylamino)but-2-enamide |
| Formula | C24H25Cl2F2N5O2 |
| Mass | 524.39 |
| Exact Mass | 523.1353369 |
| Composition | C (54.97%), H (4.81%), Cl (13.52%), F (7.25%), N (13.36%), O (6.1%) |
| Atom Count | 60 |
| PI | 10.57 |
| Smiles | c12c(cc(c(c1)NC(=O)/C=C/CN(C)C)OCCCCF)ncnc2Nc1c(cc(c(c1)Cl)Cl)F |
| InChI | 1S/C24H25Cl2F2N5O2/c1-33(2)8-5-6-23(34)31-21-10-15-19(13-22(21)35-9-4-3-7-27)29-14-30-24(15)32-20-12
-17(26)16(25)11-18(20)28/h5-6,10-14H,3-4,7-9H2,1-2H3,(H,31,34)(H,29,30,32)/b6-5+ |
| InChIKey | IRMFPVXMXJFTJR-AATRIKPKSA-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 | - |
