| General Property |
| Molceule ID (DB) | EGIN0001100 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 16 Compound |
| IUPAC Name | 4-N-(3-bromophenyl)-5-[(1E)-(methoxyimino)methyl]pyrimidine-4,6-diamine |
| Formula | C12H12BrN5O |
| Mass | 322.161 |
| Exact Mass | 321.0225227 |
| Composition | C (44.74%), H (3.75%), Br (24.8%), N (21.74%), O (4.97%) |
| Atom Count | 31 |
| PI | 10.39 |
| Smiles | N(c1c(c(ncn1)N)/C=N/OC)c1cc(ccc1)Br |
| InChI | 1S/C12H12BrN5O/c1-19-17-6-10-11(14)15-7-16-12(10)18-9-4-2-3-8(13)5-9/h2-7H,1H3,(H3,14,15,16,18)/b17-
6+ |
| InChIKey | OCXORRCMDXTOHV-UBKPWBPPSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 | 18508264 |
| 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 |
17747243
|
| Drug Bank Link | - |
| ChemSpider Link | 23315568 |
| ChEMBL Link | CHEMBL402149 |
