General Property |
Molceule ID (DB) | EGIN0002910 |
Inhibitor Class | Amino-salicylate |
Molecule Name in Refrence Article | II23 compound |
IUPAC Name | phenyl 5-{[(2,5-dihydroxyphenyl)methyl]amino}-2-hydroxybenzoate |
Formula | C20H17NO5 |
Mass | 351.3527 |
Exact Mass | 351.1106727 |
Composition | C (68.37%), H (4.88%), N (3.99%), O (22.77%) |
Atom Count | 43 |
PI | 6.84 |
Smiles | c1(C(=O)Oc2ccccc2)c(ccc(c1)NCc1c(ccc(c1)O)O)O |
InChI | 1S/C20H17NO5/c22-15-7-9-18(23)13(10-15)12-21-14-6-8-19(24)17(11-14)20(25)26-16-4-2-1-3-5-16/h1-11,21
-24H,12H2 |
InChIKey | DZGFZWXTFNJNOJ-UHFFFAOYSA-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 | 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 |
10020830
|
Drug Bank Link | - |
ChemSpider Link | 8196403 |
ChEMBL Link | CHEMBL169970 |