General Property |
Molceule ID (DB) | EGIN0002642 |
Inhibitor Class | Amino-salicylate |
Molecule Name in Refrence Article | 16 compound |
IUPAC Name | 5-[2-(3,4-dihydroxyphenyl)ethyl]-2-hydroxybenzoic acid |
Formula | C15H14O5 |
Mass | 274.2687 |
Exact Mass | 274.0841236 |
Composition | C (65.69%), H (5.15%), O (29.17%) |
Atom Count | 34 |
PI | No isoelectric point. |
Smiles | c1(C(=O)O)c(ccc(c1)CCc1cc(c(cc1)O)O)O |
InChI | 1S/C15H14O5/c16-12-5-3-9(7-11(12)15(19)20)1-2-10-4-6-13(17)14(18)8-10/h3-8,16-18H,1-2H2,(H,19,20) |
InChIKey | ZJYYJIKJRQVSND-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002642.png) | Structure Backbone | ![](./frame/f_EGIN0002642.png) |
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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 | 8105084 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | p56lck | |
Pub Chem Link |
380860
|
Drug Bank Link | - |
ChemSpider Link | 337502 |
ChEMBL Link | CHEMBL102821 |