| General Property |
| Molceule ID (DB) | EGIN0001188 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 16 compound |
| IUPAC Name | N-{4-[(3-bromo-4-fluorophenyl)amino]-7-{3-[(3S)-morpholin-3-yl]propoxy}quinazolin-6-yl}prop-2-enamide |
| Formula | C24H25BrFN5O3 |
| Mass | 530.389 |
| Exact Mass | 529.1124805 |
| Composition | C (54.35%), H (4.75%), Br (15.07%), F (3.58%), N (13.2%), O (9.05%) |
| Atom Count | 59 |
| PI | 10.61 |
| Smiles | Brc1c(ccc(Nc2ncnc3cc(OCCC[C@H]4COCCN4)c(NC(=O)C=C)cc23)c1)F |
| InChI | 1S/C24H25BrFN5O3/c1-2-23(32)31-21-11-17-20(12-22(21)34-8-3-4-16-13-33-9-7-27-16)28-14-29-24(17)30-15
-5-6-19(26)18(25)10-15/h2,5-6,10-12,14,16,27H,1,3-4,7-9,13H2,(H,31,32)(H,28,29,30)/t16-/m0/s1 |
| InChIKey | IBRPEHDOAKOYHU-INIZCTEOSA-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 | 10956451 |
| 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 | - |
