General Property |
Molceule ID (DB) | EGIN0002787 |
Inhibitor Class | Tyrphostin |
Molecule Name in Refrence Article | 3 compound |
IUPAC Name | N-[4-(2,2-dicyanoeth-1-en-1-yl)phenyl]acetamide |
Formula | C12H9N3O |
Mass | 211.2194 |
Exact Mass | 211.0745619 |
Composition | C (68.24%), H (4.29%), N (19.89%), O (7.57%) |
Atom Count | 25 |
PI | 4.94 |
Smiles | C(=C(C#N)C#N)c1ccc(cc1)NC(=O)C |
InChI | 1S/C12H9N3O/c1-9(16)15-12-4-2-10(3-5-12)6-11(7-13)8-14/h2-6H,1H3,(H,15,16) |
InChIKey | HDJOIOGUBRECCC-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 | 1676428 |
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 |
33296
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Drug Bank Link | - |
ChemSpider Link | 30755 |
ChEMBL Link | CHEMBL57631 |