| General Property |
| Molceule ID (DB) | EGIN0004163 |
| Inhibitor Class | Unknown |
| Molecule Name in Refrence Article | HTS02876 |
| IUPAC Name | 4-[4-(benzyloxy)phenyl]-3-[(2-{[3-(trifluoromethyl)phenyl]sulfonyl}ethyl)sulfanyl]-4,5-dihydro-1H-1,2,4-triazol-5-one |
| Formula | C24H20F3N3O4S2 |
| Mass | 535.559 |
| Exact Mass | 535.0847321 |
| Composition | C (53.82%), H (3.76%), F (10.64%), N (7.85%), O (11.95%), S (11.97%) |
| Atom Count | 56 |
| PI | 2.12 |
| Smiles | c1(n(c(=O)[nH]n1)c1ccc(cc1)OCc1ccccc1)SCCS(=O)(=O)c1cc(ccc1)C(F)(F)F |
| InChI | 1S/C24H20F3N3O4S2/c25-24(26,27)18-7-4-8-21(15-18)36(32,33)14-13-35-23-29-28-22(31)30(23)19-9-11-20(1
2-10-19)34-16-17-5-2-1-3-6-17/h1-12,15H,13-14,16H2,(H,28,31) |
| InChIKey | PCYFSRWJXFMTSN-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 | 19170633 |
| 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 |
2810910
|
| Drug Bank Link | - |
| ChemSpider Link | 2089325 |
| ChEMBL Link | CHEMBL460914 |
