| General Property |
| Molceule ID (DB) | EGIN0002884 |
| Inhibitor Class | Amino-salicylate |
| Molecule Name in Refrence Article | I16 compound |
| IUPAC Name | 3,3-dimethylbutyl 5-[(E)-[(2,5-dihydroxyphenyl)methylidene]amino]-2-hydroxybenzoate |
| Formula | C20H23NO5 |
| Mass | 357.4003 |
| Exact Mass | 357.1576229 |
| Composition | C (67.21%), H (6.49%), N (3.92%), O (22.38%) |
| Atom Count | 49 |
| PI | 5.03 |
| Smiles | c1(C(=O)OCCC(C)(C)C)c(ccc(/N=C/c2c(ccc(c2)O)O)c1)O |
| InChI | 1S/C20H23NO5/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/h4-7,10-12,
22-24H,8-9H2,1-3H3/b21-12+ |
| InChIKey | QZXRKYUTSKOQIW-CIAFOILYSA-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 23239281 |
| ChEMBL Link | CHEMBL168330 |
