| General Property |
| Molceule ID (DB) | EGIN0000196 |
| Inhibitor Class | Diphenyl-amine |
| Molecule Name in Refrence Article | 7 |
| IUPAC Name | N-ethyl-5-[2-({4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]phenyl}amino)phenyl]-1,3,4-thiadiazol-2-amine |
| 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 | 7.55 |
| Smiles | c1c(c(ccc1)c1nnc(s1)NCC)Nc1ccc(cc1)c1nnc(s1)NCC |
| InChI | 1S/C20H21N7S2/c1-3-21-19-26-24-17(28-19)13-9-11-14(12-10-13)23-16-8-6-5-7-15(16)18-25-27-20(29-18)22
-4-2/h5-12,23H,3-4H2,1-2H3,(H,21,26)(H,22,27) |
| InChIKey | BCKZDJJJRHCCIG-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 | 21881256 | 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 | 26352153 |
| ChEMBL Link | CHEMBL1242621 |
