General Property |
Molceule ID (DB) | EGIN0001702 |
Inhibitor Class | Tyrphostin |
Molecule Name in Refrence Article | 47 compound |
IUPAC Name | (2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enethioamide |
Formula | C10H8N2O2S |
Mass | 220.248 |
Exact Mass | 220.0306482 |
Composition | C (54.53%), H (3.66%), N (12.72%), O (14.53%), S (14.56%) |
Atom Count | 23 |
PI | 2.73 |
Smiles | c1(ccc(c(c1)O)O)/C=C(C#N)/C(=S)N |
InChI | 1S/C10H8N2O2S/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+ |
InChIKey | ZGHQGWOETPXKLY-XVNBXDOJSA-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 | 11462969 | 18321716 | |
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 |
-
|
Drug Bank Link | - |
ChemSpider Link | 11373661 |
ChEMBL Link | CHEMBL77030 |