| General Property |
| Molceule ID (DB) | EGIN0001110 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 25 Compound |
| IUPAC Name | 4-N-({1-[(4-fluorophenyl)methyl]-1H-indol-5-yl}methyl)-5-[(1E)-(methoxyimino)methyl]pyrimidine-4,6-diamine |
| Formula | C22H21FN6O |
| Mass | 404.4401 |
| Exact Mass | 404.1760875 |
| Composition | C (65.33%), H (5.23%), F (4.7%), N (20.78%), O (3.96%) |
| Atom Count | 51 |
| PI | 12.08 |
| Smiles | N(c1c(c(ncn1)N)/C=N/OC)Cc1cc2c(cc1)n(cc2)Cc1ccc(cc1)F |
| InChI | 1S/C22H21FN6O/c1-30-28-12-19-21(24)26-14-27-22(19)25-11-16-4-7-20-17(10-16)8-9-29(20)13-15-2-5-18(23
)6-3-15/h2-10,12,14H,11,13H2,1H3,(H3,24,25,26,27)/b28-12+ |
| InChIKey | ANURNQLGOPMABA-KVSWJAHQSA-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 | - |
| ChEMBL Link | CHEMBL257816 |
