| General Property |
| Molceule ID (DB) | EGIN0001641 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 13 compound |
| IUPAC Name | (2E)-3-[3-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-4-hydroxy-5-methoxyphenyl]-2-cyanoprop-2-enamide |
| Formula | C19H17ClN2O3S |
| Mass | 388.868 |
| Exact Mass | 388.0648408 |
| Composition | C (58.68%), H (4.41%), Cl (9.12%), N (7.2%), O (12.34%), S (8.25%) |
| Atom Count | 43 |
| PI | 3.86 |
| Smiles | c1(cc(c(c(c1)OC)O)CSCc1ccc(cc1)Cl)/C=C(C#N)/C(=O)N |
| InChI | 1S/C19H17ClN2O3S/c1-25-17-8-13(6-14(9-21)19(22)24)7-15(18(17)23)11-26-10-12-2-4-16(20)5-3-12/h2-8,23
H,10-11H2,1H3,(H2,22,24)/b14-6+ |
| InChIKey | LSTSYXGQPRASQW-MKMNVTDBSA-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 |
44345633
|
| Drug Bank Link | - |
| ChemSpider Link | 23201836 |
| ChEMBL Link | CHEMBL119923 |
