| General Property |
| Molceule ID (DB) | EGIN0000692 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 9b compound |
| IUPAC Name | (4R,4aS)-4-N-(3-bromophenyl)-4H,4aH-pyrido[2,3-d]pyrimidine-4,7-diamine |
| Formula | C13H12BrN5 |
| Mass | 318.172 |
| Exact Mass | 317.0276081 |
| Composition | C (49.07%), H (3.8%), Br (25.11%), N (22.01%) |
| Atom Count | 31 |
| PI | 10.62 |
| Smiles | [C@H]12C(=NC=N[C@H]2Nc2cccc(c2)Br)N=C(C=C1)N |
| InChI | 1S/C13H12BrN5/c14-8-2-1-3-9(6-8)18-12-10-4-5-11(15)19-13(10)17-7-16-12/h1-7,10,12,18H,(H2,15,16,17,1
9)/t10-,12-/m0/s1 |
| InChIKey | LWQFNTCCWNJBID-JQWIXIFHSA-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 | CHEMBL54474 |
