| General Property |
| Molceule ID (DB) | EGIN0001115 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 30 Compound |
| IUPAC Name | 4-N-[2-(3-fluorophenyl)-1-benzofuran-5-yl]-5-[(1E)-(methoxyimino)methyl]pyrimidine-4,6-diamine |
| Formula | C20H16FN5O2 |
| Mass | 377.3717 |
| Exact Mass | 377.128803 |
| Composition | C (63.65%), H (4.27%), F (5.03%), N (18.56%), O (8.48%) |
| Atom Count | 44 |
| PI | 10.29 |
| Smiles | Fc1cccc(c1)c1cc2cc(ccc2o1)Nc1c(c(ncn1)N)/C=N/OC |
| InChI | InChI=1S/C20H16FN5O2/c1-27-25-10-16-19(22)23-11-24-20(16)26-15-5-6-17-13(8-15)9-18(28-17)12-3-2-4-14
(21)7-12/h2-11H,1H3,(H3,22,23,24,26)/b25-10+ |
| InChIKey | InChIKey=RSHRUGPBPKSJLD-KIBLKLHPSA-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 |
44448864
|
| Drug Bank Link | - |
| ChemSpider Link | 23315410 |
| ChEMBL Link | CHEMBL402551 |
