General Property |
Molceule ID (DB) | EGIN0002920 |
Inhibitor Class | Amino-salicylate |
Molecule Name in Refrence Article | II33 compound |
IUPAC Name | 3-hydroxyphenyl 5-{[(2,5-dihydroxyphenyl)methyl]amino}-2-hydroxybenzoate |
Formula | C20H17NO6 |
Mass | 367.3521 |
Exact Mass | 367.1055873 |
Composition | C (65.39%), H (4.66%), N (3.81%), O (26.13%) |
Atom Count | 44 |
PI | 6.52 |
Smiles | c1(C(=O)Oc2cc(O)ccc2)c(ccc(c1)NCc1c(ccc(c1)O)O)O |
InChI | 1S/C20H17NO6/c22-14-2-1-3-16(10-14)27-20(26)17-9-13(4-6-19(17)25)21-11-12-8-15(23)5-7-18(12)24/h1-10
,21-25H,11H2 |
InChIKey | NBSOGEPSWSTCKZ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002920.png) | Structure Backbone | ![](./frame/f_EGIN0002920.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 |
10044469
|
Drug Bank Link | - |
ChemSpider Link | 8220033 |
ChEMBL Link | CHEMBL422335 |