| General Property |
| Molceule ID (DB) | EGIN0003508 |
| Inhibitor Class | Benzo-diazole |
| Molecule Name in Refrence Article | 2 compound |
| IUPAC Name | 5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-{[2-(trifluoromethyl)phenyl]methoxy}thiophene-2-carboxamide |
| Formula | C22H18F3N3O4S |
| Mass | 477.456 |
| Exact Mass | 477.0970114 |
| Composition | C (55.34%), H (3.8%), F (11.94%), N (8.8%), O (13.4%), S (6.72%) |
| Atom Count | 51 |
| PI | 10.06 |
| Smiles | c1c(c(cc2c1ncn2c1cc(c(s1)C(=O)N)OCc1ccccc1C(F)(F)F)OC)OC |
| InChI | 1S/C22H18F3N3O4S/c1-30-16-7-14-15(8-17(16)31-2)28(11-27-14)19-9-18(20(33-19)21(26)29)32-10-12-5-3-4-
6-13(12)22(23,24)25/h3-9,11H,10H2,1-2H3,(H2,26,29) |
| InChIKey | JSKUWFIZUALZLX-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 | 19097784 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Aurora A | cFMS | EGFR | GSK-3 | P38a | PDGFR1b | PLK1 | PLK3 | SRC | VEGFR2 | VEGFR3 | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 8002051 |
| ChEMBL Link | CHEMBL514499 |
