General Property |
Molceule ID (DB) | EGIN0000655 |
Inhibitor Class | Pyrimido-Pyrimidine |
Molecule Name in Refrence Article | 5c compound |
IUPAC Name | 8-N-(3-bromophenyl)-2-N-methyl-[1,3]diazino[5,4-d]pyrimidine-2,8-diamine |
Formula | C13H11BrN6 |
Mass | 331.171 |
Exact Mass | 330.022857 |
Composition | C (47.15%), H (3.35%), Br (24.13%), N (25.38%) |
Atom Count | 31 |
PI | 9.05 |
Smiles | c12c(cnc(n1)NC)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C13H11BrN6/c1-15-13-16-6-10-11(20-13)12(18-7-17-10)19-9-4-2-3-8(14)5-9/h2-7H,1H3,(H,15,16,20)(H,1
7,18,19) |
InChIKey | SINHNCOFBIYLPM-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000655.png) | Structure Backbone | ![](./frame/f_EGIN0000655.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 |
5328336
|
Drug Bank Link | - |
ChemSpider Link | 4485501 |
ChEMBL Link | CHEMBL299622 |