| General Property |
| Molceule ID (DB) | EGIN0002907 |
| Inhibitor Class | Amino-salicylate |
| Molecule Name in Refrence Article | II20 compound |
| IUPAC Name | hexadecyl 5-{[(2,5-dihydroxyphenyl)methyl]amino}-2-hydroxybenzoate |
| Formula | C30H45NO5 |
| Mass | 499.682 |
| Exact Mass | 499.3297736 |
| Composition | C (72.11%), H (9.08%), N (2.8%), O (16.01%) |
| Atom Count | 81 |
| PI | 6.86 |
| Smiles | c1(C(=O)OCCCCCCCCCCCCCCCC)c(ccc(c1)NCc1c(ccc(c1)O)O)O |
| InChI | 1S/C30H45NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-36-30(35)27-22-25(16-18-29(27)34)31-23-24-21-26
(32)17-19-28(24)33/h16-19,21-22,31-34H,2-15,20,23H2,1H3 |
| InChIKey | NZIWPHUUCYWGLO-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 |
10413621
|
| Drug Bank Link | - |
| ChemSpider Link | 8589055 |
| ChEMBL Link | CHEMBL168882 |
