| General Property |
| Molceule ID (DB) | EGIN0001101 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 17 Compound |
| IUPAC Name | 4-N-[(3-chloro-4-fluorophenyl)methyl]-5-[(1E)-(methoxyimino)methyl]pyrimidine-4,6-diamine |
| Formula | C13H13ClFN5O |
| Mass | 309.727 |
| Exact Mass | 309.079266 |
| Composition | C (50.41%), H (4.23%), Cl (11.45%), F (6.13%), N (22.61%), O (5.17%) |
| Atom Count | 34 |
| PI | 12.08 |
| Smiles | N(c1c(c(ncn1)N)/C=N/OC)Cc1cc(c(cc1)F)Cl |
| InChI | 1S/C13H13ClFN5O/c1-21-20-6-9-12(16)18-7-19-13(9)17-5-8-2-3-11(15)10(14)4-8/h2-4,6-7H,5H2,1H3,(H3,16,
17,18,19)/b20-6+ |
| InChIKey | ZWFYXFAJZVJGKQ-CGOBSMCZSA-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 23315562 |
| ChEMBL Link | CHEMBL255291 |
