General Property |
Molceule ID (DB) | EGIN0002586 |
Inhibitor Class | Amino-salicylate |
Molecule Name in Refrence Article | 9 compound |
IUPAC Name | methyl 5-[(E)-[(2,5-dimethoxyphenyl)methylidene]amino]-2-hydroxybenzoate |
Formula | C17H17NO5 |
Mass | 315.3206 |
Exact Mass | 315.1106727 |
Composition | C (64.75%), H (5.43%), N (4.44%), O (25.37%) |
Atom Count | 40 |
PI | 5.25 |
Smiles | c1(C(=O)OC)c(ccc(/N=C/c2c(ccc(c2)OC)OC)c1)O |
InChI | 1S/C17H17NO5/c1-21-13-5-7-16(22-2)11(8-13)10-18-12-4-6-15(19)14(9-12)17(20)23-3/h4-10,19H,1-3H3/b18-
10+ |
InChIKey | NXHOBVAJCSTTHA-VCHYOVAHSA-N |
2D Structure | | Structure Backbone | |
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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 | 8258833 |
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 |
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Drug Bank Link | - |
ChemSpider Link | 8556416 |
ChEMBL Link | CHEMBL340449 |