| General Property |
| Molceule ID (DB) | EGIN0002598 |
| Inhibitor Class | Amino-salicylate |
| Molecule Name in Refrence Article | 21 compound |
| IUPAC Name | methyl 3-{[(2,5-dihydroxyphenyl)methyl]amino}benzoate |
| Formula | C15H15NO4 |
| Mass | 273.2839 |
| Exact Mass | 273.100108 |
| Composition | C (65.92%), H (5.53%), N (5.13%), O (23.42%) |
| Atom Count | 35 |
| PI | 6.14 |
| Smiles | c1(c(ccc(c1)O)O)CNc1cc(C(=O)OC)ccc1 |
| InChI | 1S/C15H15NO4/c1-20-15(19)10-3-2-4-12(7-10)16-9-11-8-13(17)5-6-14(11)18/h2-8,16-18H,9H2,1H3 |
| InChIKey | HTWAXGHCHPIQLQ-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 | 8258833 |
| 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 |
10468511
|
| Drug Bank Link | - |
| ChemSpider Link | 8643922 |
| ChEMBL Link | CHEMBL334334 |
