General Property |
Molceule ID (DB) | EGIN0000653 |
Inhibitor Class | Pyrimido-Pyrimidine |
Molecule Name in Refrence Article | 5a compound |
IUPAC Name | N-(3-bromophenyl)-6-chloro-[1,3]diazino[5,4-d]pyrimidin-4-amine |
Formula | C12H7BrClN5 |
Mass | 336.574 |
Exact Mass | 334.9573356 |
Composition | C (42.82%), H (2.1%), Br (23.74%), Cl (10.53%), N (20.81%) |
Atom Count | 26 |
PI | 7.29 |
Smiles | c12c(cnc(n1)Cl)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C12H7BrClN5/c13-7-2-1-3-8(4-7)18-11-10-9(16-6-17-11)5-15-12(14)19-10/h1-6H,(H,16,17,18) |
InChIKey | KIJZNASQHHBSGG-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000653.png) | Structure Backbone | ![](./frame/f_EGIN0000653.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 |
5328334
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Drug Bank Link | - |
ChemSpider Link | 4485499 |
ChEMBL Link | CHEMBL53311 |