| General Property |
| Molceule ID (DB) | EGIN0002905 |
| Inhibitor Class | Amino-salicylate |
| Molecule Name in Refrence Article | II18 compound |
| IUPAC Name | (3S)-3,5,5-trimethylhexyl 5-{[(2,5-dihydroxyphenyl)methyl]amino}-2-hydroxybenzoate |
| Formula | C23H31NO5 |
| Mass | 401.4959 |
| Exact Mass | 401.2202231 |
| Composition | C (68.8%), H (7.78%), N (3.49%), O (19.92%) |
| Atom Count | 60 |
| PI | 6.86 |
| Smiles | c1(C(=O)OCC[C@H](CC(C)(C)C)C)c(ccc(c1)NCc1c(ccc(c1)O)O)O |
| InChI | 1S/C23H31NO5/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
-8,11-12,15,24-27H,9-10,13-14H2,1-4H3/t15-/m1/s1 |
| InChIKey | VIZZNTMFZJICBL-OAHLLOKOSA-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 |
10696457
|
| Drug Bank Link | - |
| ChemSpider Link | 8267996 |
| ChEMBL Link | CHEMBL368296 |
