General Property |
Molceule ID (DB) | EGIN0001250 |
Inhibitor Class | Tyrphostin |
Molecule Name in Refrence Article | 11 compound |
IUPAC Name | (2E)-2-cyano-3-(4-hydroxy-3-methoxy-5-{[(4-methylphenyl)sulfanyl]methyl}phenyl)prop-2-enamide |
Formula | C19H18N2O3S |
Mass | 354.423 |
Exact Mass | 354.1038131 |
Composition | C (64.39%), H (5.12%), N (7.9%), O (13.54%), S (9.05%) |
Atom Count | 43 |
PI | 3.85 |
Smiles | c1(cc(c(c(c1)OC)O)CSc1ccc(cc1)C)/C=C(/C(=O)N)C#N |
InChI | 1S/C19H18N2O3S/c1-12-3-5-16(6-4-12)25-11-15-8-13(7-14(10-20)19(21)23)9-17(24-2)18(15)22/h3-9,22H,11H
2,1-2H3,(H2,21,23)/b14-7+ |
InChIKey | PIEHGIDXVHAXHW-VGOFMYFVSA-N |
2D Structure | ![](./image/EGIN0001250.png) | Structure Backbone | ![](./frame/f_EGIN0001250.png) |
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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 | 8098709 | |
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 |
44345648
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Drug Bank Link | - |
ChemSpider Link | 23201851 |
ChEMBL Link | CHEMBL333454 |