General Property |
Molceule ID (DB) | EGIN0004867 |
Inhibitor Class | Unknown |
Molecule Name in Refrence Article | 3 |
IUPAC Name | (2E)-2-(N-hydroxyimino)-N-[(4S)-1-methyl-3-oxo-2-phenylpyrazolidin-4-yl]acetamide |
Formula | C12H14N4O3 |
Mass | 262.2646 |
Exact Mass | 262.1065903 |
Composition | C (54.96%), H (5.38%), N (21.36%), O (18.3%) |
Atom Count | 33 |
PI | 3.77 |
Smiles | c1ccccc1N1C(=O)[C@H](CN1C)NC(=O)/C=N/O |
InChI | 1S/C12H14N4O3/c1-15-8-10(14-11(17)7-13-19)12(18)16(15)9-5-3-2-4-6-9/h2-7,10,19H,8H2,1H3,(H,14,17)/b1
3-7+/t10-/m0/s1 |
InChIKey | LEGIEAUMUHLSMH-JLATVTFTSA-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 | 22227214 |
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 | - |
ChEMBL Link | - |