| General Property |
| Molceule ID (DB) | EGIN0001121 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 36 Compound |
| IUPAC Name | 4-N-{1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}-5-[(1E)-{[(2-methoxyphenyl)methoxy]imino}methyl]pyrimidine-4,6-diamine |
| Formula | C27H24FN7O2 |
| Mass | 497.5236 |
| Exact Mass | 497.1975513 |
| Composition | C (65.18%), H (4.86%), F (3.82%), N (19.71%), O (6.43%) |
| Atom Count | 61 |
| PI | 10.28 |
| Smiles | c1cc(cc2c1n(nc2)Cc1cccc(c1)F)Nc1ncnc(c1/C=N/OCc1ccccc1OC)N |
| InChI | 1S/C27H24FN7O2/c1-36-25-8-3-2-6-19(25)16-37-33-14-23-26(29)30-17-31-27(23)34-22-9-10-24-20(12-22)13-
32-35(24)15-18-5-4-7-21(28)11-18/h2-14,17H,15-16H2,1H3,(H3,29,30,31,34)/b33-14+ |
| InChIKey | WDMFQNOTWHKYOA-ZHSUKTGHSA-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 |
17747279
|
| Drug Bank Link | - |
| ChemSpider Link | 23315325 |
| ChEMBL Link | CHEMBL255236 |
