| General Property |
| Molceule ID (DB) | EGIN0001117 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 32 Compound |
| IUPAC Name | 5-[(1E)-(ethoxyimino)methyl]-4-N-{1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}pyrimidine-4,6-diamine |
| Formula | C21H20FN7O |
| Mass | 405.4282 |
| Exact Mass | 405.1713365 |
| Composition | C (62.21%), H (4.97%), F (4.69%), N (24.18%), O (3.95%) |
| Atom Count | 50 |
| PI | 10.29 |
| Smiles | c1cc(cc2c1n(nc2)Cc1cccc(c1)F)Nc1ncnc(c1/C=N/OCC)N |
| InChI | 1S/C21H20FN7O/c1-2-30-27-11-18-20(23)24-13-25-21(18)28-17-6-7-19-15(9-17)10-26-29(19)12-14-4-3-5-16(
22)8-14/h3-11,13H,2,12H2,1H3,(H3,23,24,25,28)/b27-11+ |
| InChIKey | APHSPKWGAGCFBE-LUOAPIJWSA-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 |
17747139
|
| Drug Bank Link | - |
| ChemSpider Link | 23315365 |
| ChEMBL Link | CHEMBL402294 |
