| General Property |
| Molceule ID (DB) | EGIN0002903 |
| Inhibitor Class | Amino-salicylate |
| Molecule Name in Refrence Article | II16 compound |
| IUPAC Name | 3,3-dimethylbutyl 5-{[(2,5-dihydroxyphenyl)methyl]amino}-2-hydroxybenzoate |
| Formula | C20H25NO5 |
| Mass | 359.4162 |
| Exact Mass | 359.1732729 |
| Composition | C (66.83%), H (7.01%), N (3.9%), O (22.26%) |
| Atom Count | 51 |
| PI | 6.86 |
| Smiles | c1(C(=O)OCCC(C)(C)C)c(ccc(c1)NCc1c(ccc(c1)O)O)O |
| InChI | 1S/C20H25NO5/c1-20(2,3)8-9-26-19(25)16-11-14(4-6-18(16)24)21-12-13-10-15(22)5-7-17(13)23/h4-7,10-11,
21-24H,8-9,12H2,1-3H3 |
| InChIKey | UQHPIGQZXWZJOH-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 |
10383837
|
| Drug Bank Link | - |
| ChemSpider Link | 8559279 |
| ChEMBL Link | CHEMBL353028 |
