| General Property |
| Molceule ID (DB) | EGIN0004164 |
| Inhibitor Class | Unknown |
| Molecule Name in Refrence Article | HTS00213 |
| IUPAC Name | 3-(2,6-dichlorophenoxymethyl)-5-[({4-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-1,2,4-oxadiazole |
| Formula | C19H12Cl2F3N5O2S |
| Mass | 502.297 |
| Exact Mass | 501.0040854 |
| Composition | C (45.43%), H (2.41%), Cl (14.12%), F (11.35%), N (13.94%), O (6.37%), S (6.38%) |
| Atom Count | 44 |
| PI | No isoelectric point. |
| Smiles | c1(nc(on1)CSc1n(cnn1)c1ccc(cc1)C(F)(F)F)COc1c(cccc1Cl)Cl |
| InChI | 1S/C19H12Cl2F3N5O2S/c20-13-2-1-3-14(21)17(13)30-8-15-26-16(31-28-15)9-32-18-27-25-10-29(18)12-6-4-11
(5-7-12)19(22,23)24/h1-7,10H,8-9H2 |
| InChIKey | UUZRVUXGULNUHU-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 2087961 |
| ChEMBL Link | CHEMBL461781 |
