General Property |
Molceule ID (DB) | EGIN0002250 |
Inhibitor Class | Benzo-thiazole |
Molecule Name in Refrence Article | 19 compound |
IUPAC Name | N-[4-(1,3-benzothiazol-2-yl)-2-fluorophenyl]thieno[3,2-d]pyrimidin-4-amine |
Formula | C19H11FN4S2 |
Mass | 378.446 |
Exact Mass | 378.040916 |
Composition | C (60.3%), H (2.93%), F (5.02%), N (14.8%), S (16.95%) |
Atom Count | 37 |
PI | 7.22 |
Smiles | c1(c(ccc(c1)c1nc2c(s1)cccc2)Nc1ncnc2c1scc2)F |
InChI | 1S/C19H11FN4S2/c20-12-9-11(19-24-14-3-1-2-4-16(14)26-19)5-6-13(12)23-18-17-15(7-8-25-17)21-10-22-18/
h1-10H,(H,21,22,23) |
InChIKey | RSIMWZIJZCXPJV-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 | 19211246 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | InsR | Src | VEGFR2 | VEGFR3 | Aurora B | Aurora A | TIE2 | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 23335928 |
ChEMBL Link | CHEMBL474347 |