| General Property |
| Molceule ID (DB) | EGIN0003291 |
| Inhibitor Class | Quinone |
| Molecule Name in Refrence Article | 37 compound |
| IUPAC Name | 2-[(2S)-2-amino-3-hydroxypropanoyl]-5-methoxycyclohexa-2,5-diene-1,4-dione; ethane |
| Formula | C12H17NO5 |
| Mass | 255.2671 |
| Exact Mass | 255.1106727 |
| Composition | C (56.46%), H (6.71%), N (5.49%), O (31.34%) |
| Atom Count | 35 |
| PI | 10.1 |
| Smiles | COC1=CC(=O)C(=CC1=O)C(=O)[C@@H](N)CO.CC |
| InChI | InChI=1S/C10H11NO5.C2H6/c1-16-9-3-7(13)5(2-8(9)14)10(15)6(11)4-12;1-2/h2-3,6,12H,4,11H2,1H3;1-2H3/t6
-;/m0./s1 |
| InChIKey | InChIKey=KHHZLWNLMPIKCT-RGMNGODLSA-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 | IGF1R | VEGFR2 | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 6084 |
| ChEMBL Link | - |
