General Property |
Molceule ID (DB) | EGIN0000612 |
Inhibitor Class | Tyrphostin |
Molecule Name in Refrence Article | 51 compound |
IUPAC Name | (3Z)-2-amino-3-[(3,4,5-trihydroxyphenyl)methylidene]prop-1-ene-1,1,3-tricarbonitrile |
Formula | C13H8N4O3 |
Mass | 268.2276 |
Exact Mass | 268.0596401 |
Composition | C (58.21%), H (3.01%), N (20.89%), O (17.89%) |
Atom Count | 28 |
PI | 1.54 |
Smiles | c1c(c(c(cc1/C=C(/C(=C(C#N)C#N)N)C#N)O)O)O |
InChI | 1S/C13H8N4O3/c14-4-8(12(17)9(5-15)6-16)1-7-2-10(18)13(20)11(19)3-7/h1-3,18-20H,17H2/b8-1+ |
InChIKey | JKNOYWVMHPMBEL-UNXLUWIOSA-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 | 16321529 | |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | PDGFR beta | VEGFR2 | FGFR1 | PDGFR beta | VEGFR2 | FGFR1 | ALL |
Pub Chem Link |
5328807
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Drug Bank Link | - |
ChemSpider Link | 4485969 |
ChEMBL Link | CHEMBL78257 |