| General Property |
| Molceule ID (DB) | EGIN0003292 |
| Inhibitor Class | Quinone |
| Molecule Name in Refrence Article | 38b compound |
| IUPAC Name | (2R,3S)-2-{[(1Z,4Z)-4-{[(1R,2S)-1-carboxy-2-hydroxypropyl]imino}-2,5-dihydroxycyclohexa-2,5-dien-1-ylidene]amino}-3-hydroxybutanoic acid |
| Formula | C14H18N2O8 |
| Mass | 342.3013 |
| Exact Mass | 342.1063156 |
| Composition | C (49.12%), H (5.3%), N (8.18%), O (37.39%) |
| Atom Count | 42 |
| PI | 5.51 |
| Smiles | C1(=N[C@@H](C(=O)O)[C@@H](O)C)/C=C(/C(=N[C@@H](C(=O)O)[C@@H](O)C)/C=C1O)O |
| InChI | 1S/C14H18N2O8/c1-5(17)11(13(21)22)15-7-3-10(20)8(4-9(7)19)16-12(6(2)18)14(23)24/h3-6,11-12,17-20H,1-
2H3,(H,21,22)(H,23,24)/b15-7-,16-8-/t5-,6-,11+,12+/m0/s1 |
| InChIKey | QHXCLHGUXMHBOH-RGXTWOLTSA-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 | 12825933 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | VEGFR3 | Tie | IGF1R | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 23186424 |
| ChEMBL Link | CHEMBL327725 |
