| General Property |
| Molceule ID (DB) | EGIN0000910 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 21 compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-4-(dimethylamino)-2-methylidenebutanamide |
| Formula | C20H21BrN6O |
| Mass | 441.324 |
| Exact Mass | 440.096022 |
| Composition | C (54.43%), H (4.8%), Br (18.11%), N (19.04%), O (3.63%) |
| Atom Count | 49 |
| PI | 10.83 |
| Smiles | n1cnc2c(c1Nc1cccc(c1)Br)cc(nc2)NC(=O)C(=C)CCN(C)C |
| InChI | 1S/C20H21BrN6O/c1-13(7-8-27(2)3)20(28)26-18-10-16-17(11-22-18)23-12-24-19(16)25-15-6-4-5-14(21)9-15/
h4-6,9-12H,1,7-8H2,2-3H3,(H,22,26,28)(H,23,24,25) |
| InChIKey | DIYQDZFPCHKENA-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 | 11462982 |
| 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 | CHEMBL138691 |
