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 | ![](./image/EGIN0002907.png) | Structure Backbone | ![](./frame/f_EGIN0002907.png) |
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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
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Drug Bank Link | - |
ChemSpider Link | 8589055 |
ChEMBL Link | CHEMBL168882 |