General Property |
Molceule ID (DB) | EGIN0002873 |
Inhibitor Class | Amino-salicylate |
Molecule Name in Refrence Article | I3 compound |
IUPAC Name | ethyl 2-{5-[(E)-[(2,5-dihydroxyphenyl)methylidene]amino]-2-hydroxyphenyl}acetate |
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 | 5.22 |
Smiles | c1(/C=N/c2cc(CC(=O)OCC)c(cc2)O)c(ccc(c1)O)O |
InChI | 1S/C17H17NO5/c1-2-23-17(22)9-11-7-13(3-5-15(11)20)18-10-12-8-14(19)4-6-16(12)21/h3-8,10,19-21H,2,9H2
,1H3/b18-10+ |
InChIKey | GBRVPNPUPMWSLK-VCHYOVAHSA-N |
2D Structure | ![](./image/EGIN0002873.png) | Structure Backbone | ![](./frame/f_EGIN0002873.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 |
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Drug Bank Link | - |
ChemSpider Link | 23239052 |
ChEMBL Link | CHEMBL168425 |