| General Property |
| Molceule ID (DB) | EGIN0002902 |
| Inhibitor Class | Amino-salicylate |
| Molecule Name in Refrence Article | II15 compound |
| IUPAC Name | tert-butyl 5-{[(2,5-dihydroxyphenyl)methyl]amino}-2-hydroxybenzoate |
| Formula | C18H21NO5 |
| Mass | 331.363 |
| Exact Mass | 331.1419728 |
| Composition | C (65.24%), H (6.39%), N (4.23%), O (24.14%) |
| Atom Count | 45 |
| PI | 6.85 |
| Smiles | c1(C(=O)OC(C)(C)C)c(ccc(c1)NCc1c(ccc(c1)O)O)O |
| InChI | 1S/C18H21NO5/c1-18(2,3)24-17(23)14-9-12(4-6-16(14)22)19-10-11-8-13(20)5-7-15(11)21/h4-9,19-22H,10H2,
1-3H3 |
| InChIKey | JOARRVKABNAADS-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 | 8145236 |
| 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 |
10019589
|
| Drug Bank Link | - |
| ChemSpider Link | 8195162 |
| ChEMBL Link | CHEMBL170111 |
