| General Property |
| Molceule ID (DB) | EGIN0002886 |
| Inhibitor Class | Amino-salicylate |
| Molecule Name in Refrence Article | I18 compound |
| IUPAC Name | (3R)-3,5,5-trimethylhexyl 5-[(E)-[(2,5-dihydroxyphenyl)methylidene]amino]-2-hydroxybenzoate |
| Formula | C23H29NO5 |
| Mass | 399.4801 |
| Exact Mass | 399.204573 |
| Composition | C (69.15%), H (7.32%), N (3.51%), O (20.03%) |
| Atom Count | 58 |
| PI | 5.03 |
| Smiles | c1(ccc(cc1/C=N/c1cc(c(cc1)O)C(=O)OCC[C@H](C)CC(C)(C)C)O)O |
| InChI | 1S/C23H29NO5/c1-15(13-23(2,3)4)9-10-29-22(28)19-12-17(5-7-21(19)27)24-14-16-11-18(25)6-8-20(16)26/h5
-8,11-12,14-15,25-27H,9-10,13H2,1-4H3/b24-14+/t15-/m0/s1 |
| InChIKey | KMMMMKNHOCRHEY-BGHCKBSUSA-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 | 23239294 |
| ChEMBL Link | CHEMBL355308 |
