| General Property |
| Molceule ID (DB) | EGIN0002906 |
| Inhibitor Class | Amino-salicylate |
| Molecule Name in Refrence Article | II19 compound |
| IUPAC Name | (3S)-3,7-dimethyloctyl 5-{[(2,5-dihydroxyphenyl)methyl]amino}-2-hydroxybenzoate |
| Formula | C24H33NO5 |
| Mass | 415.5225 |
| Exact Mass | 415.2358732 |
| Composition | C (69.37%), H (8%), N (3.37%), O (19.25%) |
| Atom Count | 63 |
| PI | 6.86 |
| Smiles | c1(C(=O)OCC[C@H](CCCC(C)C)C)c(ccc(c1)NCc1c(ccc(c1)O)O)O |
| InChI | 1S/C24H33NO5/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
/h7-10,13-14,16-17,25-28H,4-6,11-12,15H2,1-3H3/t17-/m0/s1 |
| InChIKey | XQXDURSMCSZFTK-KRWDZBQOSA-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 | 8268836 |
| ChEMBL Link | CHEMBL170997 |
