| General Property |
| Molceule ID (DB) | EGIN0002918 |
| Inhibitor Class | Amino-salicylate |
| Molecule Name in Refrence Article | II31 compound |
| IUPAC Name | [4-(propan-2-yl)phenyl]methyl 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)OCc2ccc(cc2)C(C)C)c(ccc(c1)NCc1c(ccc(c1)O)O)O |
| InChI | 1S/C24H25NO5/c1-15(2)17-5-3-16(4-6-17)14-30-24(29)21-12-19(7-9-23(21)28)25-13-18-11-20(26)8-10-22(18
)27/h3-12,15,25-28H,13-14H2,1-2H3 |
| InChIKey | JMTUNVWEWYDTJZ-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 |
10476486
|
| Drug Bank Link | - |
| ChemSpider Link | 8651896 |
| ChEMBL Link | CHEMBL435662 |
