| General Property |
| Molceule ID (DB) | EGIN0003522 |
| Inhibitor Class | Amino-salicylate |
| Molecule Name in Refrence Article | 7 compound |
| IUPAC Name | 5-{[(3S)-3,6-dimethoxycyclohexa-1,5-dien-1-yl]methoxy}-2-hydroxybenzoic acid |
| Formula | C16H18O6 |
| Mass | 306.3105 |
| Exact Mass | 306.1103383 |
| Composition | C (62.74%), H (5.92%), O (31.34%) |
| Atom Count | 40 |
| PI | No isoelectric point. |
| Smiles | c1(C(=O)O)c(ccc(c1)OCC1=C[C@H](CC=C1OC)OC)O |
| InChI | 1S/C16H18O6/c1-20-11-4-6-15(21-2)10(7-11)9-22-12-3-5-14(17)13(8-12)16(18)19/h3,5-8,11,17H,4,9H2,1-2H
3,(H,18,19)/t11-/m0/s1 |
| InChIKey | LJGZGWLYDULDPC-NSHDSACASA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 |
| 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 |
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| Drug Bank Link | - |
| ChemSpider Link | 23209988 |
| ChEMBL Link | CHEMBL131405 |
