| General Property |
| Molceule ID (DB) | EGIN0001098 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 14 Compound |
| IUPAC Name | 4-N-{1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}-5-[(1E)-(methoxyimino)methyl]-6-N-methylpyrimidine-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 | 10.2 |
| Smiles | n1(c2c(cn1)cc(cc2)Nc1c(c(ncn1)NC)/C=N/OC)Cc1cc(ccc1)F |
| InChI | 1S/C21H20FN7O/c1-23-20-18(11-27-30-2)21(25-13-24-20)28-17-6-7-19-15(9-17)10-26-29(19)12-14-4-3-5-16(
22)8-14/h3-11,13H,12H2,1-2H3,(H2,23,24,25,28)/b27-11+ |
| InChIKey | PQZQWOCWVRYTTF-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 |
44448999
|
| Drug Bank Link | - |
| ChemSpider Link | 23315566 |
| ChEMBL Link | CHEMBL404426 |
