| General Property |
| Molceule ID (DB) | EGIN0001629 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 1 compound |
| IUPAC Name | (2E)-3-{3-[(benzylsulfanyl)methyl]-4-hydroxy-5-methoxyphenyl}-2-[(E)-(3,4-dihydroxyphenyl)carbonyl]prop-2-enenitrile |
| Formula | C25H21NO5S |
| Mass | 447.503 |
| Exact Mass | 447.1140435 |
| Composition | C (67.1%), H (4.73%), N (3.13%), O (17.88%), S (7.17%) |
| Atom Count | 53 |
| PI | 1.03 |
| Smiles | c1(cc(c(c(c1)OC)O)CSCc1ccccc1)/C=C(C#N)/C(=O)c1cc(c(cc1)O)O |
| InChI | 1S/C25H21NO5S/c1-31-23-11-17(9-19(13-26)24(29)18-7-8-21(27)22(28)12-18)10-20(25(23)30)15-32-14-16-5-
3-2-4-6-16/h2-12,27-28,30H,14-15H2,1H3/b19-9+ |
| InChIKey | SMPHSAOFBCCNMS-DJKKODMXSA-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 |
44345182
|
| Drug Bank Link | - |
| ChemSpider Link | 23201402 |
| ChEMBL Link | CHEMBL116547 |
