General Property |
Molceule ID (DB) | EGIN0000651 |
Inhibitor Class | Pyrimido-Pyrimidine |
Molecule Name in Refrence Article | 4a compound |
IUPAC Name | 6-chloro-N-phenyl-[1,3]diazino[5,4-d]pyrimidin-4-amine |
Formula | C12H8ClN5 |
Mass | 257.678 |
Exact Mass | 257.046823 |
Composition | C (55.93%), H (3.13%), Cl (13.76%), N (27.18%) |
Atom Count | 26 |
PI | 7.47 |
Smiles | c12c(cnc(n1)Cl)ncnc2Nc1ccccc1 |
InChI | 1S/C12H8ClN5/c13-12-14-6-9-10(18-12)11(16-7-15-9)17-8-4-2-1-3-5-8/h1-7H,(H,15,16,17) |
InChIKey | MBZZMOBHTIEAEW-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000651.png) | Structure Backbone | ![](./frame/f_EGIN0000651.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 |
5328332
|
Drug Bank Link | - |
ChemSpider Link | 4485497 |
ChEMBL Link | CHEMBL50027 |