General Property |
Molceule ID (DB) | EGIN0000662 |
Inhibitor Class | Pyrimido-Pyrimidine |
Molecule Name in Refrence Article | 5j compound |
IUPAC Name | 8-N-(3-bromophenyl)-2-N-[3-(1H-imidazol-1-yl)propyl]-[1,3]diazino[5,4-d]pyrimidine-2,8-diamine |
Formula | C18H17BrN8 |
Mass | 425.285 |
Exact Mass | 424.0759552 |
Composition | C (50.83%), H (4.03%), Br (18.79%), N (26.35%) |
Atom Count | 44 |
PI | 10.17 |
Smiles | c12c(cnc(n1)NCCCn1cncc1)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C18H17BrN8/c19-13-3-1-4-14(9-13)25-17-16-15(23-11-24-17)10-22-18(26-16)21-5-2-7-27-8-6-20-12-27/h
1,3-4,6,8-12H,2,5,7H2,(H,21,22,26)(H,23,24,25) |
InChIKey | PHVFHKTZGHFXKK-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000662.png) | Structure Backbone | ![](./frame/f_EGIN0000662.png) |
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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 |
5328343
|
Drug Bank Link | - |
ChemSpider Link | 4485508 |
ChEMBL Link | CHEMBL51228 |