| General Property |
| Molceule ID (DB) | EGIN0002597 |
| Inhibitor Class | Amino-salicylate |
| Molecule Name in Refrence Article | 20 compound |
| IUPAC Name | 3-{[(2,5-dihydroxyphenyl)methyl]amino}benzoic acid |
| Formula | C14H13NO4 |
| Mass | 259.2573 |
| Exact Mass | 259.0844579 |
| Composition | C (64.86%), H (5.05%), N (5.4%), O (24.68%) |
| Atom Count | 32 |
| PI | 4.03 |
| Smiles | c1(c(ccc(c1)O)O)CNc1cc(C(=O)O)ccc1 |
| InChI | 1S/C14H13NO4/c16-12-4-5-13(17)10(7-12)8-15-11-3-1-2-9(6-11)14(18)19/h1-7,15-17H,8H2,(H,18,19) |
| InChIKey | PCBHHKFQNAFXJI-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 |
5311106
|
| Drug Bank Link | - |
| ChemSpider Link | 4470636 |
| ChEMBL Link | CHEMBL129907 |
