General Property |
Molceule ID (DB) | EGIN0003527 |
Inhibitor Class | Amino-salicylate |
Molecule Name in Refrence Article | 12 compound |
IUPAC Name | 5-[2-(2,5-dimethoxyphenyl)ethyl]-2-hydroxybenzoic acid |
Formula | C17H18O5 |
Mass | 302.3218 |
Exact Mass | 302.1154237 |
Composition | C (67.54%), H (6%), O (26.46%) |
Atom Count | 40 |
PI | No isoelectric point. |
Smiles | c1(C(=O)O)c(ccc(c1)CCc1c(ccc(c1)OC)OC)O |
InChI | 1S/C17H18O5/c1-21-13-6-8-16(22-2)12(10-13)5-3-11-4-7-15(18)14(9-11)17(19)20/h4,6-10,18H,3,5H2,1-2H3,
(H,19,20) |
InChIKey | BGJIXAANOBCFEU-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003527.png) | Structure Backbone | ![](./frame/f_EGIN0003527.png) |
|
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 |
10086258
|
Drug Bank Link | - |
ChemSpider Link | 8261795 |
ChEMBL Link | CHEMBL130549 |