General Property |
Molceule ID (DB) | EGIN0002908 |
Inhibitor Class | Amino-salicylate |
Molecule Name in Refrence Article | II21 compound |
IUPAC Name | cyclohexylmethyl 5-{[(2,5-dihydroxyphenyl)methyl]amino}-2-hydroxybenzoate |
Formula | C21H25NO5 |
Mass | 371.4269 |
Exact Mass | 371.1732729 |
Composition | C (67.91%), H (6.78%), N (3.77%), O (21.54%) |
Atom Count | 52 |
PI | 6.86 |
Smiles | c1(C(=O)OCC2CCCCC2)c(ccc(c1)NCc1c(ccc(c1)O)O)O |
InChI | 1S/C21H25NO5/c23-17-7-9-19(24)15(10-17)12-22-16-6-8-20(25)18(11-16)21(26)27-13-14-4-2-1-3-5-14/h6-11
,14,22-25H,1-5,12-13H2 |
InChIKey | MWHCDXDJZRMOBD-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002908.png) | Structure Backbone | ![](./frame/f_EGIN0002908.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 |
10317124
|
Drug Bank Link | - |
ChemSpider Link | 8492589 |
ChEMBL Link | CHEMBL168363 |