| General Property |
| Molceule ID (DB) | EGIN0004611 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 19a |
| IUPAC Name | N-{[2-(4-amino-6-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}pyrimidin-5-yl)-1,3-oxazol-4-yl]methyl}prop-2-enamide |
| Formula | C23H20ClN7O3 |
| Mass | 477.903 |
| Exact Mass | 477.1316152 |
| Composition | C (57.8%), H (4.22%), Cl (7.42%), N (20.52%), O (10.04%) |
| Atom Count | 54 |
| PI | 9.68 |
| Smiles | c1(c(c(ncn1)N)c1occ(CNC(=O)C=C)n1)Nc1ccc(c(c1)Cl)OCc1ccccn1 |
| InChI | 1S/C23H20ClN7O3/c1-2-19(32)27-10-16-12-34-23(31-16)20-21(25)28-13-29-22(20)30-14-6-7-18(17(24)9-14)3
3-11-15-5-3-4-8-26-15/h2-9,12-13H,1,10-11H2,(H,27,32)(H3,25,28,29,30) |
| InChIKey | PRTPANUTPYMUDM-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 | 22372864 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Abl | Aurora-A | Blk | Flt1 | MEK1 | Met | Pim-1 | Syk | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 28520300 |
| ChEMBL Link | - |
