| General Property |
| Molceule ID (DB) | EGIN0001645 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 17 compound |
| IUPAC Name | 2-({[5-(2,2-dicyanoeth-1-en-1-yl)-2-hydroxy-3-methoxyphenyl]methyl}sulfanyl)benzoic acid |
| Formula | C19H14N2O4S |
| Mass | 366.39 |
| Exact Mass | 366.0674276 |
| Composition | C (62.28%), H (3.85%), N (7.65%), O (17.47%), S (8.75%) |
| Atom Count | 40 |
| PI | No isoelectric point. |
| Smiles | c1(cc(c(c(c1)OC)O)CSc1c(cccc1)C(=O)O)C=C(C#N)C#N |
| InChI | 1S/C19H14N2O4S/c1-25-16-8-12(6-13(9-20)10-21)7-14(18(16)22)11-26-17-5-3-2-4-15(17)19(23)24/h2-8,22H,
11H2,1H3,(H,23,24) |
| InChIKey | BSYPGOABDXSGOL-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 |
44345309
|
| Drug Bank Link | - |
| ChemSpider Link | 23201517 |
| ChEMBL Link | CHEMBL118321 |
