| General Property |
| Molceule ID (DB) | EGIN0000695 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 9g compound |
| IUPAC Name | (4R,4aS)-4-N-(3-bromophenyl)-7-N,7-N-dimethyl-4H,4aH-pyrido[2,3-d]pyrimidine-4,7-diamine |
| Formula | C15H16BrN5 |
| Mass | 346.225 |
| Exact Mass | 345.0589082 |
| Composition | C (52.04%), H (4.66%), Br (23.08%), N (20.23%) |
| Atom Count | 37 |
| PI | 10.74 |
| Smiles | [C@H]12C(=NC=N[C@H]2Nc2cccc(c2)Br)N=C(C=C1)N(C)C |
| InChI | 1S/C15H16BrN5/c1-21(2)13-7-6-12-14(17-9-18-15(12)20-13)19-11-5-3-4-10(16)8-11/h3-9,12,14,19H,1-2H3/t
12-,14-/m0/s1 |
| InChIKey | RDMRRBLQXQYHNS-JSGCOSHPSA-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 | CHEMBL50245 |
