General Property |
Molceule ID (DB) | EGIN0000652 |
Inhibitor Class | Pyrimido-Pyrimidine |
Molecule Name in Refrence Article | 4c compound |
IUPAC Name | 2-N-methyl-8-N-phenyl-[1,3]diazino[5,4-d]pyrimidine-2,8-diamine |
Formula | C13H12N6 |
Mass | 252.2746 |
Exact Mass | 252.1123444 |
Composition | C (61.89%), H (4.79%), N (33.31%) |
Atom Count | 31 |
PI | 9.24 |
Smiles | c12c(cnc(n1)NC)ncnc2Nc1ccccc1 |
InChI | 1S/C13H12N6/c1-14-13-15-7-10-11(19-13)12(17-8-16-10)18-9-5-3-2-4-6-9/h2-8H,1H3,(H,14,15,19)(H,16,17,
18) |
InChIKey | HSTFDYRLOHVGKW-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000652.png) | Structure Backbone | ![](./frame/f_EGIN0000652.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 |
5328333
|
Drug Bank Link | - |
ChemSpider Link | 4485498 |
ChEMBL Link | CHEMBL53310 |