| General Property |
| Molceule ID (DB) | EGIN0000201 |
| Inhibitor Class | Diphenyl-amine |
| Molecule Name in Refrence Article | 17c compound |
| IUPAC Name | 4-cyclopropyl-5-(2-{[4-(4-cyclopropyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)phenyl]amino}phenyl)-4H-1,2,4-triazole-3-thiol |
| Formula | C22H21N7S2 |
| Mass | 447.579 |
| Exact Mass | 447.1299851 |
| Composition | C (59.04%), H (4.73%), N (21.91%), S (14.33%) |
| Atom Count | 52 |
| PI | 4.79 |
| Smiles | c1c(c(ccc1)c1nnc(n1C1CC1)S)Nc1ccc(cc1)c1nnc(n1C1CC1)S |
| InChI | 1S/C22H21N7S2/c30-21-26-24-19(28(21)15-9-10-15)13-5-7-14(8-6-13)23-18-4-2-1-3-17(18)20-25-27-22(31)2
9(20)16-11-12-16/h1-8,15-16,23H,9-12H2,(H,26,30)(H,27,31) |
| InChIKey | FYVPXSMZCHNKJB-UHFFFAOYSA-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 | 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 | - |
| ChEMBL Link | - |
