| General Property |
| Molceule ID (DB) | EGIN0002885 |
| Inhibitor Class | Amino-salicylate |
| Molecule Name in Refrence Article | I17 compound |
| IUPAC Name | (2R)-2,4,4-trimethylpentyl 5-[(E)-[(2,5-dihydroxyphenyl)methylidene]amino]-2-hydroxybenzoate |
| Formula | C22H27NO5 |
| Mass | 385.4535 |
| Exact Mass | 385.188923 |
| Composition | C (68.55%), H (7.06%), N (3.63%), O (20.75%) |
| Atom Count | 55 |
| PI | 5.03 |
| Smiles | c1(C(=O)OC[C@@H](CC(C)(C)C)C)c(ccc(/N=C/c2c(ccc(c2)O)O)c1)O |
| InChI | 1S/C22H27NO5/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
,12,14,24-26H,11,13H2,1-4H3/b23-12+/t14-/m1/s1 |
| InChIKey | UFPMFCIXDPMJLT-CHOFVFFHSA-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 | 23239295 |
| ChEMBL Link | CHEMBL171144 |
