| General Property |
| Molceule ID (DB) | EGIN0000199 |
| Inhibitor Class | Diphenyl-amine |
| Molecule Name in Refrence Article | 17a compound |
| IUPAC Name | 4-ethyl-5-(2-{[4-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)phenyl]amino}phenyl)-4H-1,2,4-triazole-3-thiol |
| Formula | C20H21N7S2 |
| Mass | 423.558 |
| Exact Mass | 423.1299851 |
| Composition | C (56.71%), H (5%), N (23.15%), S (15.14%) |
| Atom Count | 50 |
| PI | 4.82 |
| Smiles | c1c(c(ccc1)c1nnc(n1CC)S)Nc1ccc(cc1)c1nnc(n1CC)S |
| InChI | 1S/C20H21N7S2/c1-3-26-17(22-24-19(26)28)13-9-11-14(12-10-13)21-16-8-6-5-7-15(16)18-23-25-20(29)27(18
)4-2/h5-12,21H,3-4H2,1-2H3,(H,24,28)(H,25,29) |
| InChIKey | ALESNXZNXAAQLF-UHFFFAOYSA-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 | 20580136 |
| 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 | 26351882 |
| ChEMBL Link | CHEMBL1242805 |
