| General Property |
| Molceule ID (DB) | EGIN0003528 |
| Inhibitor Class | Amino-salicylate |
| Molecule Name in Refrence Article | 13 compound |
| IUPAC Name | methyl 5-[2-(2,5-dimethoxyphenyl)ethyl]-2-hydroxybenzoate |
| Formula | C18H20O5 |
| Mass | 316.3484 |
| Exact Mass | 316.1310738 |
| Composition | C (68.34%), H (6.37%), O (25.29%) |
| Atom Count | 43 |
| PI | 3.03 |
| Smiles | c1c(c(cc(c1)OC)CCc1ccc(c(c1)C(=O)OC)O)OC |
| InChI | 1S/C18H20O5/c1-21-14-7-9-17(22-2)13(11-14)6-4-12-5-8-16(19)15(10-12)18(20)23-3/h5,7-11,19H,4,6H2,1-3
H3 |
| InChIKey | GZOFTOHENYHNMS-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 | 7990108 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | B16F1 | K562 | KB | L1210 | LOVO | P388 | SCL-1 | u937 | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 7994112 |
| ChEMBL Link | CHEMBL129856 |
