| General Property |
| Molceule ID (DB) | EGIN0001652 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 24 compound |
| IUPAC Name | 2-[(3-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-hydroxy-5-methoxyphenyl)methylidene]propanedinitrile |
| Formula | C21H17N3O3S2 |
| Mass | 423.508 |
| Exact Mass | 423.0711328 |
| Composition | C (59.56%), H (4.05%), N (9.92%), O (11.33%), S (15.14%) |
| Atom Count | 46 |
| PI | 4.53 |
| Smiles | S(Cc1cc(cc(c1O)OC)C=C(C#N)C#N)c1nc2c(s1)cc(cc2)OCC |
| InChI | 1S/C21H17N3O3S2/c1-3-27-16-4-5-17-19(9-16)29-21(24-17)28-12-15-7-13(6-14(10-22)11-23)8-18(26-2)20(15
)25/h4-9,25H,3,12H2,1-2H3 |
| InChIKey | DCLGILLLSAJWTN-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 |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL117055 |
