General Property |
Molceule ID (DB) | EGIN0000654 |
Inhibitor Class | Pyrimido-Pyrimidine |
Molecule Name in Refrence Article | 5b compound |
IUPAC Name | 8-N-(3-bromophenyl)-[1,3]diazino[5,4-d]pyrimidine-2,8-diamine |
Formula | C12H9BrN6 |
Mass | 317.144 |
Exact Mass | 316.007207 |
Composition | C (45.45%), H (2.86%), Br (25.19%), N (26.5%) |
Atom Count | 28 |
PI | 9.06 |
Smiles | c12c(cnc(n1)N)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C12H9BrN6/c13-7-2-1-3-8(4-7)18-11-10-9(16-6-17-11)5-15-12(14)19-10/h1-6H,(H2,14,15,19)(H,16,17,18
) |
InChIKey | SJVLDEFAHRZRJJ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000654.png) | Structure Backbone | ![](./frame/f_EGIN0000654.png) |
|
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 | 9191958 |
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 |
5328335
|
Drug Bank Link | - |
ChemSpider Link | 4485500 |
ChEMBL Link | CHEMBL53831 |