| General Property |
| Molceule ID (DB) | EGIN0003523 |
| Inhibitor Class | Amino-salicylate |
| Molecule Name in Refrence Article | 8 compound |
| IUPAC Name | methyl 5-{[(3S)-3,6-dimethoxycyclohexa-1,5-dien-1-yl]methoxy}-2-hydroxybenzoate |
| Formula | C17H20O6 |
| Mass | 320.3371 |
| Exact Mass | 320.1259884 |
| Composition | C (63.74%), H (6.29%), O (29.97%) |
| Atom Count | 43 |
| PI | 3.24 |
| Smiles | c1(C(=O)OC)c(ccc(c1)OCC1=C[C@H](CC=C1OC)OC)O |
| InChI | 1S/C17H20O6/c1-20-12-5-7-16(21-2)11(8-12)10-23-13-4-6-15(18)14(9-13)17(19)22-3/h4,6-9,12,18H,5,10H2,
1-3H3/t12-/m0/s1 |
| InChIKey | KGBUGQNGTLMMHA-LBPRGKRZSA-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 | 23209869 |
| ChEMBL Link | CHEMBL130633 |
