General Property |
Molceule ID (DB) | EGIN0000514 |
Inhibitor Class | Thiazolidinone |
Molecule Name in Refrence Article | 12 compound |
IUPAC Name | 2-[(E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazin-1-yl]-4,5-dihydro-1,3-thiazol-4-one |
Formula | C10H8BrN3O2S |
Mass | 314.158 |
Exact Mass | 312.9520599 |
Composition | C (38.23%), H (2.57%), Br (25.43%), N (13.38%), O (10.19%), S (10.21%) |
Atom Count | 25 |
PI | 6.45 |
Smiles | c1(c(cc(cc1)Br)/C=N/NC1=NC(=O)CS1)O |
InChI | 1S/C10H8BrN3O2S/c11-7-1-2-8(15)6(3-7)4-12-14-10-13-9(16)5-17-10/h1-4,15H,5H2,(H,13,14,16)/b12-4+ |
InChIKey | BUPWPQSTALKSKT-UUILKARUSA-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 | 19914835 |
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 | 10869403 |
ChEMBL Link | CHEMBL592457 |