General Property |
Molceule ID (DB) | EGIN0003524 |
Inhibitor Class | Amino-salicylate |
Molecule Name in Refrence Article | 9 compound |
IUPAC Name | methyl 5-(2,5-dimethoxyphenoxymethyl)-2-hydroxybenzoate |
Formula | C17H18O6 |
Mass | 318.3212 |
Exact Mass | 318.1103383 |
Composition | C (64.14%), H (5.7%), O (30.16%) |
Atom Count | 41 |
PI | 2.9 |
Smiles | c1(C(=O)OC)c(ccc(c1)COc1c(ccc(c1)OC)OC)O |
InChI | 1S/C17H18O6/c1-20-12-5-7-15(21-2)16(9-12)23-10-11-4-6-14(18)13(8-11)17(19)22-3/h4-9,18H,10H2,1-3H3 |
InChIKey | XIHOKNLBBUFWCW-UHFFFAOYSA-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 | 7990108 |
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 |
10087223
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Drug Bank Link | - |
ChemSpider Link | 8262760 |
ChEMBL Link | CHEMBL134181 |