| General Property |
| Molceule ID (DB) | EGIN0002904 |
| Inhibitor Class | Amino-salicylate |
| Molecule Name in Refrence Article | II17 compound |
| IUPAC Name | (2R)-2,4,4-trimethylpentyl 5-{[(2,5-dihydroxyphenyl)methyl]amino}-2-hydroxybenzoate |
| Formula | C22H29NO5 |
| Mass | 387.4694 |
| Exact Mass | 387.204573 |
| Composition | C (68.2%), H (7.54%), N (3.61%), O (20.65%) |
| Atom Count | 57 |
| PI | 6.86 |
| Smiles | c1(C(=O)OC[C@@H](CC(C)(C)C)C)c(ccc(c1)NCc1c(ccc(c1)O)O)O |
| InChI | 1S/C22H29NO5/c1-14(11-22(2,3)4)13-28-21(27)18-10-16(5-7-20(18)26)23-12-15-9-17(24)6-8-19(15)25/h5-10
,14,23-26H,11-13H2,1-4H3/t14-/m1/s1 |
| InChIKey | HVEMMWIZVGSFPL-CQSZACIVSA-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 | 8221319 |
| ChEMBL Link | CHEMBL355853 |
