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 | ![](./image/EGIN0003508.png) | Structure Backbone | ![](./frame/f_EGIN0003508.png) |
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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 | 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 |