General Property |
Molceule ID (DB) | EGIN0001664 |
Inhibitor Class | Tyrphostin |
Molecule Name in Refrence Article | 9 compound |
IUPAC Name | 2-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]propanedinitrile |
Formula | C18H22N2O |
Mass | 282.3801 |
Exact Mass | 282.1732133 |
Composition | C (76.56%), H (7.85%), N (9.92%), O (5.67%) |
Atom Count | 43 |
PI | No isoelectric point. |
Smiles | c1(cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C=C(C#N)C#N |
InChI | 1S/C18H22N2O/c1-17(2,3)14-8-12(7-13(10-19)11-20)9-15(16(14)21)18(4,5)6/h7-9,21H,1-6H3 |
InChIKey | MZOPWQKISXCCTP-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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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 | 2552117 |
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 |
5614
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Drug Bank Link | - |
ChemSpider Link | 5412 |
ChEMBL Link | CHEMBL78150 |