General Property |
Molceule ID (DB) | EGIN0002903 |
Inhibitor Class | Amino-salicylate |
Molecule Name in Refrence Article | II16 compound |
IUPAC Name | 3,3-dimethylbutyl 5-{[(2,5-dihydroxyphenyl)methyl]amino}-2-hydroxybenzoate |
Formula | C20H25NO5 |
Mass | 359.4162 |
Exact Mass | 359.1732729 |
Composition | C (66.83%), H (7.01%), N (3.9%), O (22.26%) |
Atom Count | 51 |
PI | 6.86 |
Smiles | c1(C(=O)OCCC(C)(C)C)c(ccc(c1)NCc1c(ccc(c1)O)O)O |
InChI | 1S/C20H25NO5/c1-20(2,3)8-9-26-19(25)16-11-14(4-6-18(16)24)21-12-13-10-15(22)5-7-17(13)23/h4-7,10-11,
21-24H,8-9,12H2,1-3H3 |
InChIKey | UQHPIGQZXWZJOH-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002903.png) | Structure Backbone | ![](./frame/f_EGIN0002903.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 |
10383837
|
Drug Bank Link | - |
ChemSpider Link | 8559279 |
ChEMBL Link | CHEMBL353028 |