| General Property |
| Molceule ID (DB) | EGIN0002919 |
| Inhibitor Class | Amino-salicylate |
| Molecule Name in Refrence Article | II32 compound |
| IUPAC Name | (3,5-dimethylphenyl)methyl 5-{[(2,5-dihydroxyphenyl)methyl]amino}-2-hydroxybenzoate |
| Formula | C23H23NO5 |
| Mass | 393.4324 |
| Exact Mass | 393.1576229 |
| Composition | C (70.21%), H (5.89%), N (3.56%), O (20.33%) |
| Atom Count | 52 |
| PI | 6.86 |
| Smiles | c1(C(=O)OCc2cc(cc(c2)C)C)c(ccc(c1)NCc1c(ccc(c1)O)O)O |
| InChI | 1S/C23H23NO5/c1-14-7-15(2)9-16(8-14)13-29-23(28)20-11-18(3-5-22(20)27)24-12-17-10-19(25)4-6-21(17)26
/h3-11,24-27H,12-13H2,1-2H3 |
| InChIKey | VFBKLVOROFEVPG-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 |
10475666
|
| Drug Bank Link | - |
| ChemSpider Link | 8651076 |
| ChEMBL Link | CHEMBL169356 |
