| General Property |
| Molceule ID (DB) | EGIN0000685 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 7f compound |
| IUPAC Name | (4R,4aS)-4-N-(3-bromophenyl)-6-N-methyl-4H,4aH-pyrido[3,4-d]pyrimidine-4,6-diamine |
| Formula | C14H14BrN5 |
| Mass | 332.198 |
| Exact Mass | 331.0432581 |
| Composition | C (50.62%), H (4.25%), Br (24.05%), N (21.08%) |
| Atom Count | 34 |
| PI | 10.15 |
| Smiles | [C@H]12C(=NC=N[C@H]2Nc2cc(ccc2)Br)C=NC(=C1)NC |
| InChI | 1S/C14H14BrN5/c1-16-13-6-11-12(7-17-13)18-8-19-14(11)20-10-4-2-3-9(15)5-10/h2-8,11,14,16,20H,1H3/t11
-,14+/m1/s1 |
| InChIKey | DXLROOKLTKNANN-RISCZKNCSA-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 | 8627606 |
| 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 | CHEMBL53753 |
