| General Property |
| Molceule ID (DB) | EGIN0001099 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 15 Compound |
| IUPAC Name | 4-N-(3-chloro-4-fluorophenyl)-5-[(1E)-(methoxyimino)methyl]pyrimidine-4,6-diamine |
| Formula | C12H11ClFN5O |
| Mass | 295.7 |
| Exact Mass | 295.0636159 |
| Composition | C (48.74%), H (3.75%), Cl (11.99%), F (6.42%), N (23.68%), O (5.41%) |
| Atom Count | 31 |
| PI | 10.42 |
| Smiles | N(c1c(c(ncn1)N)/C=N/OC)c1cc(c(cc1)F)Cl |
| InChI | 1S/C12H11ClFN5O/c1-20-18-5-8-11(15)16-6-17-12(8)19-7-2-3-10(14)9(13)4-7/h2-6H,1H3,(H3,15,16,17,19)/b
18-5+ |
| InChIKey | LIQFDQDQUXXTBU-BLLMUTORSA-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 |
17747104
|
| Drug Bank Link | - |
| ChemSpider Link | 23315567 |
| ChEMBL Link | CHEMBL255490 |
