| General Property |
| Molceule ID (DB) | EGIN0002887 |
| Inhibitor Class | Amino-salicylate |
| Molecule Name in Refrence Article | I19 compound |
| IUPAC Name | (3S)-3,7-dimethyloctyl 5-[(E)-[(2,5-dihydroxyphenyl)methylidene]amino]-2-hydroxybenzoate |
| Formula | C24H31NO5 |
| Mass | 413.5066 |
| Exact Mass | 413.2202231 |
| Composition | C (69.71%), H (7.56%), N (3.39%), O (19.35%) |
| Atom Count | 61 |
| PI | 5.03 |
| Smiles | c1(C(=O)OCC[C@H](CCCC(C)C)C)c(ccc(/N=C/c2c(ccc(c2)O)O)c1)O |
| InChI | 1S/C24H31NO5/c1-16(2)5-4-6-17(3)11-12-30-24(29)21-14-19(7-9-23(21)28)25-15-18-13-20(26)8-10-22(18)27
/h7-10,13-17,26-28H,4-6,11-12H2,1-3H3/b25-15+/t17-/m0/s1 |
| InChIKey | GUYITFKMGQHYEN-STPJHCLOSA-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 | 23238942 |
| ChEMBL Link | CHEMBL354301 |
