| General Property |
| Molceule ID (DB) | EGIN0001647 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 19 compound |
| IUPAC Name | 4-[({5-[(1E)-2-carbamoyl-2-cyanoeth-1-en-1-yl]-2-hydroxy-3-methoxyphenyl}methyl)sulfanyl]butanoic acid |
| Formula | C16H18N2O5S |
| Mass | 350.39 |
| Exact Mass | 350.0936424 |
| Composition | C (54.84%), H (5.18%), N (7.99%), O (22.83%), S (9.15%) |
| Atom Count | 42 |
| PI | 1.44 |
| Smiles | c1(cc(c(c(c1)OC)O)CSCCCC(=O)O)/C=C(C#N)/C(=O)N |
| InChI | 1S/C16H18N2O5S/c1-23-13-7-10(5-11(8-17)16(18)22)6-12(15(13)21)9-24-4-2-3-14(19)20/h5-7,21H,2-4,9H2,1
H3,(H2,18,22)(H,19,20)/b11-5+ |
| InChIKey | IOIKLYGLEHRULX-VZUCSPMQSA-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 |
44345334
|
| Drug Bank Link | - |
| ChemSpider Link | 23201542 |
| ChEMBL Link | CHEMBL326044 |
