General Property |
Molceule ID (DB) | EGIN0001662 |
Inhibitor Class | Tyrphostin |
Molecule Name in Refrence Article | 7 compound |
IUPAC Name | 2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]propanedinitrile |
Formula | C11H5N3O4 |
Mass | 243.1751 |
Exact Mass | 243.0280057 |
Composition | C (54.33%), H (2.07%), N (17.28%), O (26.32%) |
Atom Count | 23 |
PI | No isoelectric point. |
Smiles | c1(c(cc2c(c1)OCO2)N(=O)=O)C=C(C#N)C#N |
InChI | 1S/C11H5N3O4/c12-4-7(5-13)1-8-2-10-11(18-6-17-10)3-9(8)14(15)16/h1-3H,6H2 |
InChIKey | SRYYXVFONUYVLR-UHFFFAOYSA-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 | 2552117 |
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 |
707914
|
Drug Bank Link | - |
ChemSpider Link | 617296 |
ChEMBL Link | CHEMBL76082 |