General Property |
Molceule ID (DB) | EGIN0002872 |
Inhibitor Class | Amino-salicylate |
Molecule Name in Refrence Article | I2 compound |
IUPAC Name | methyl 2-{5-[(E)-[(2,5-dihydroxyphenyl)methylidene]amino]-2-hydroxyphenyl}acetate |
Formula | C16H15NO5 |
Mass | 301.294 |
Exact Mass | 301.0950226 |
Composition | C (63.78%), H (5.02%), N (4.65%), O (26.55%) |
Atom Count | 37 |
PI | 5.22 |
Smiles | c1(/C=N/c2cc(CC(=O)OC)c(cc2)O)c(ccc(c1)O)O |
InChI | 1S/C16H15NO5/c1-22-16(21)8-10-6-12(2-4-14(10)19)17-9-11-7-13(18)3-5-15(11)20/h2-7,9,18-20H,8H2,1H3/b
17-9+ |
InChIKey | KCOJVPJOPQVATP-RQZCQDPDSA-N |
2D Structure | ![](./image/EGIN0002872.png) | Structure Backbone | ![](./frame/f_EGIN0002872.png) |
|
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 |
-
|
Drug Bank Link | - |
ChemSpider Link | 23239036 |
ChEMBL Link | CHEMBL169081 |