General Property |
Molceule ID (DB) | EGIN0001705 |
Inhibitor Class | Tyrphostin |
Molecule Name in Refrence Article | 50 compound |
IUPAC Name | (3Z)-2-amino-3-[(3,4-dihydroxyphenyl)methylidene]prop-1-ene-1,1,3-tricarbonitrile |
Formula | C13H8N4O2 |
Mass | 252.2282 |
Exact Mass | 252.0647255 |
Composition | C (61.9%), H (3.2%), N (22.21%), O (12.69%) |
Atom Count | 27 |
PI | 1.8 |
Smiles | c1(ccc(c(c1)O)O)/C=C(C#N)/C(=C(C#N)C#N)N |
InChI | 1S/C13H8N4O2/c14-5-9(13(17)10(6-15)7-16)3-8-1-2-11(18)12(19)4-8/h1-4,18-19H,17H2/b9-3+ |
InChIKey | QUSWOXFVFXXENN-YCRREMRBSA-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 |
5328806
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Drug Bank Link | - |
ChemSpider Link | 4485968 |
ChEMBL Link | CHEMBL309334 |