| General Property |
| Molceule ID (DB) | EGIN0002909 |
| Inhibitor Class | Amino-salicylate |
| Molecule Name in Refrence Article | II22 compound |
| IUPAC Name | 2-(adamantan-1-yl)ethyl 5-{[(2,5-dihydroxyphenyl)methyl]amino}-2-hydroxybenzoate |
| Formula | C26H31NO5 |
| Mass | 437.528 |
| Exact Mass | 437.2202231 |
| Composition | C (71.37%), H (7.14%), N (3.2%), O (18.28%) |
| Atom Count | 63 |
| PI | 6.86 |
| Smiles | c1(C(=O)OCC[C@]23C[C@@H]4C[C@H](C2)C[C@H](C3)C4)c(ccc(c1)NCc1c(ccc(c1)O)O)O |
| InChI | 1S/C26H31NO5/c28-21-2-4-23(29)19(10-21)15-27-20-1-3-24(30)22(11-20)25(31)32-6-5-26-12-16-7-17(13-26)
9-18(8-16)14-26/h1-4,10-11,16-18,27-30H,5-9,12-15H2/t16-,17+,18-,26+ |
| InChIKey | UKUPIEIGJLWQAX-PZFLJADISA-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 | 8631171 23238936 |
| ChEMBL Link | CHEMBL169885 |
