General Property |
Molceule ID (DB) | EGIN0001707 |
Inhibitor Class | Tyrphostin |
Molecule Name in Refrence Article | 52 compound |
IUPAC Name | (3Z)-2-amino-3-[(3,4-dihydroxy-5-methoxyphenyl)methylidene]prop-1-ene-1,1,3-tricarbonitrile |
Formula | C14H10N4O3 |
Mass | 282.2542 |
Exact Mass | 282.0752902 |
Composition | C (59.57%), H (3.57%), N (19.85%), O (17.01%) |
Atom Count | 31 |
PI | 2.06 |
Smiles | c1(cc(c(c(c1)O)O)OC)/C=C(C#N)/C(=C(C#N)C#N)N |
InChI | 1S/C14H10N4O3/c1-21-12-4-8(3-11(19)14(12)20)2-9(5-15)13(18)10(6-16)7-17/h2-4,19-20H,18H2,1H3/b9-2+ |
InChIKey | CFTKDBCVQAYOLY-XNWCZRBMSA-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 |
5328808
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Drug Bank Link | - |
ChemSpider Link | 4485970 |
ChEMBL Link | CHEMBL80745 |