| General Property |
| Molceule ID (DB) | EGIN0004592 |
| Inhibitor Class | Triazine |
| Molecule Name in Refrence Article | 1a |
| IUPAC Name | 2,4-dibromo-6-[(1E)-{2-[4-(dimethylamino)-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]benzene-1,3-diol |
| Formula | C18H16Br2FN7O2 |
| Mass | 541.172 |
| Exact Mass | 538.9716263 |
| Composition | C (39.95%), H (2.98%), Br (29.53%), F (3.51%), N (18.12%), O (5.91%) |
| Atom Count | 46 |
| PI | 5.29 |
| Smiles | n1c(nc(nc1Nc1ccc(cc1)F)N/N=C/c1c(c(c(c(c1)Br)O)Br)O)N(C)C |
| InChI | 1S/C18H16Br2FN7O2/c1-28(2)18-25-16(23-11-5-3-10(21)4-6-11)24-17(26-18)27-22-8-9-7-12(19)15(30)13(20)
14(9)29/h3-8,29-30H,1-2H3,(H2,23,24,25,26,27)/b22-8+ |
| InChIKey | IMPPWUONJDONQO-GZIVZEMBSA-N |
| 2D Structure |  | Structure Backbone |  |
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| 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 | 22227214 |
| 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 | 17737460 |
| ChEMBL Link | CHEMBL1946843 |
