| General Property |
| Molceule ID (DB) | EGIN0002908 |
| Inhibitor Class | Amino-salicylate |
| Molecule Name in Refrence Article | II21 compound |
| IUPAC Name | cyclohexylmethyl 5-{[(2,5-dihydroxyphenyl)methyl]amino}-2-hydroxybenzoate |
| Formula | C21H25NO5 |
| Mass | 371.4269 |
| Exact Mass | 371.1732729 |
| Composition | C (67.91%), H (6.78%), N (3.77%), O (21.54%) |
| Atom Count | 52 |
| PI | 6.86 |
| Smiles | c1(C(=O)OCC2CCCCC2)c(ccc(c1)NCc1c(ccc(c1)O)O)O |
| InChI | 1S/C21H25NO5/c23-17-7-9-19(24)15(10-17)12-22-16-6-8-20(25)18(11-16)21(26)27-13-14-4-2-1-3-5-14/h6-11
,14,22-25H,1-5,12-13H2 |
| InChIKey | MWHCDXDJZRMOBD-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 |
10317124
|
| Drug Bank Link | - |
| ChemSpider Link | 8492589 |
| ChEMBL Link | CHEMBL168363 |
