| General Property |
| Molceule ID (DB) | EGIN0002912 |
| Inhibitor Class | Amino-salicylate |
| Molecule Name in Refrence Article | II25 compound |
| IUPAC Name | 2-phenylethyl 5-{[(2,5-dihydroxyphenyl)methyl]amino}-2-hydroxybenzoate |
| Formula | C22H21NO5 |
| Mass | 379.4058 |
| Exact Mass | 379.1419728 |
| Composition | C (69.64%), H (5.58%), N (3.69%), O (21.08%) |
| Atom Count | 49 |
| PI | 6.86 |
| Smiles | c1(C(=O)OCCc2ccccc2)c(ccc(c1)NCc1c(ccc(c1)O)O)O |
| InChI | 1S/C22H21NO5/c24-18-7-9-20(25)16(12-18)14-23-17-6-8-21(26)19(13-17)22(27)28-11-10-15-4-2-1-3-5-15/h1
-9,12-13,23-26H,10-11,14H2 |
| InChIKey | GZDFLALHYSHFBG-UHFFFAOYSA-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 |
10362325
|
| Drug Bank Link | - |
| ChemSpider Link | 8537774 |
| ChEMBL Link | CHEMBL168366 |
