| General Property |
| Molceule ID (DB) | EGIN0002916 |
| Inhibitor Class | Amino-salicylate |
| Molecule Name in Refrence Article | II29 compound |
| IUPAC Name | (3S)-3-phenylbutyl 5-{[(2,5-dihydroxyphenyl)methyl]amino}-2-hydroxybenzoate |
| Formula | C24H25NO5 |
| Mass | 407.459 |
| Exact Mass | 407.1732729 |
| Composition | C (70.74%), H (6.18%), N (3.44%), O (19.63%) |
| Atom Count | 55 |
| PI | 6.86 |
| Smiles | c1(C(=O)OCC[C@@H](c2ccccc2)C)c(ccc(c1)NCc1c(ccc(c1)O)O)O |
| InChI | 1S/C24H25NO5/c1-16(17-5-3-2-4-6-17)11-12-30-24(29)21-14-19(7-9-23(21)28)25-15-18-13-20(26)8-10-22(18
)27/h2-10,13-14,16,25-28H,11-12,15H2,1H3/t16-/m0/s1 |
| InChIKey | WSXSZSYTJWAVLI-INIZCTEOSA-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 | 8629482 |
| ChEMBL Link | CHEMBL354128 |
