General Property |
Molceule ID (DB) | EGIN0001858 |
Inhibitor Class | Methylidene-hydantoin |
Molecule Name in Refrence Article | 2g compound |
IUPAC Name | (5E)-1-(2-phenylethyl)-5-(1H-pyrrol-2-ylmethylidene)imidazolidine-2,4-dione |
Formula | C16H15N3O2 |
Mass | 281.3092 |
Exact Mass | 281.1164267 |
Composition | C (68.31%), H (5.37%), N (14.94%), O (11.37%) |
Atom Count | 36 |
PI | No isoelectric point. |
Smiles | C1(=Cc2[nH]ccc2)/N(C(=O)NC1=O)CCc1ccccc1 |
InChI | 1S/C16H15N3O2/c20-15-14(11-13-7-4-9-17-13)19(16(21)18-15)10-8-12-5-2-1-3-6-12/h1-7,9,11,17H,8,10H2,(
H,18,20,21)/b14-11+ |
InChIKey | PPRSZJTVSNZFQE-SDNWHVSQSA-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 | 16713265 |
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 |
44414155
|
Drug Bank Link | - |
ChemSpider Link | 23273505 |
ChEMBL Link | CHEMBL214099 |