| General Property |
| Molceule ID (DB) | EGIN0000200 |
| Inhibitor Class | Diphenyl-amine |
| Molecule Name in Refrence Article | 17b compound |
| IUPAC Name | 4-phenyl-5-(2-{[4-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)phenyl]amino}phenyl)-4H-1,2,4-triazole-3-thiol |
| Formula | C28H21N7S2 |
| Mass | 519.643 |
| Exact Mass | 519.1299851 |
| Composition | C (64.72%), H (4.07%), N (18.87%), S (12.34%) |
| Atom Count | 58 |
| PI | 4.67 |
| Smiles | c1c(c(ccc1)c1nnc(n1c1ccccc1)S)Nc1ccc(cc1)c1nnc(n1c1ccccc1)S |
| InChI | 1S/C28H21N7S2/c36-27-32-30-25(34(27)21-9-3-1-4-10-21)19-15-17-20(18-16-19)29-24-14-8-7-13-23(24)26-3
1-33-28(37)35(26)22-11-5-2-6-12-22/h1-18,29H,(H,32,36)(H,33,37) |
| InChIKey | QVJUOEKZFYJAJA-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 | 26351408 |
| ChEMBL Link | CHEMBL1242806 |
