| General Property |
| Molceule ID (DB) | EGIN0001649 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 21 compound |
| IUPAC Name | 2-({[5-(2,2-dicyanoeth-1-en-1-yl)-2-hydroxy-3-methoxyphenyl]methyl}sulfanyl)acetic acid |
| Formula | C14H12N2O4S |
| Mass | 304.321 |
| Exact Mass | 304.0517776 |
| Composition | C (55.25%), H (3.97%), N (9.21%), O (21.03%), S (10.54%) |
| Atom Count | 33 |
| PI | No isoelectric point. |
| Smiles | c1(cc(c(c(c1)OC)O)CSCC(=O)O)C=C(C#N)C#N |
| InChI | 1S/C14H12N2O4S/c1-20-12-4-9(2-10(5-15)6-16)3-11(14(12)19)7-21-8-13(17)18/h2-4,19H,7-8H2,1H3,(H,17,18
) |
| InChIKey | VUUXIIIZODMBCO-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 | 7902440 |
| 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 |
44345676
|
| Drug Bank Link | - |
| ChemSpider Link | 23201874 |
| ChEMBL Link | CHEMBL120719 |
