General Property |
Molceule ID (DB) | EGIN0002595 |
Inhibitor Class | Amino-salicylate |
Molecule Name in Refrence Article | 3 compound |
IUPAC Name | methyl 5-{[(2,5-dihydroxyphenyl)methyl]amino}-2-hydroxybenzoate |
Formula | C15H15NO5 |
Mass | 289.2833 |
Exact Mass | 289.0950226 |
Composition | C (62.28%), H (5.23%), N (4.84%), O (27.65%) |
Atom Count | 36 |
PI | 6.86 |
Smiles | c1(C(=O)OC)c(ccc(c1)NCc1c(ccc(c1)O)O)O |
InChI | 1S/C15H15NO5/c1-21-15(20)12-7-10(2-4-14(12)19)16-8-9-6-11(17)3-5-13(9)18/h2-7,16-19H,8H2,1H3 |
InChIKey | NOFICVMLKCZZHJ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002595.png) | Structure Backbone | ![](./frame/f_EGIN0002595.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 | 7990108 | 8145236 | 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 |
10085557
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Drug Bank Link | - |
ChemSpider Link | 8261094 |
ChEMBL Link | CHEMBL131653 |