ZINC 12

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Format: Overview Compact Basic Summary Targets List Properties Purchasing Info Catalog Info SDF CAS SMILES MOL2 Flexibase ZINC Names Names+Smiles 800lb Gorilla MOL2 (e.g. PyMol) SDF (e.g. Chimera) SMILES (e.g. Marvin) Gorilla (e.g. Instant JChem) Representations: Default All Single Usual Metals Reference Mid High Low Purchasability: Purchasable In Stock or On Demand In Stock Only Make On Demand Boutique Not For Sale Annotated Model Systems Collabocules Everything Boutique (at any price)

• 19796104

Parameters Provided:

name.synonym = N,N-diethyl-2-{[4-(hydroxymethyl)-10-oxo-10H-dibenzo[b,e]thiopyran-1-yl]amino}ethanaminium methanesulfonate; N-[2-(diethylamino)ethyl]-4-methoxy-9-oxoxanthene-1-amine monomethanesulfonate; hycanthone methanesulfonate; hycanthone methanesulphonate; hycanth
filter.purchasability = all
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN synonym AS syn ON (ci.cat_id_fk=syn.cat_fk AND ci.supplier_code=syn.supplier_code) INNER JOIN field AS f ON syn.field_fk=f.field_id  WHERE c.free = 1 AND syn.synonym IS NOT NULL AND syn.synonym LIKE 'N,N-diethyl-2-{[4-(hydroxymethyl)-10-oxo-10H-dibenzo[b,e]thiopyran-1-yl]amino}ethanaminium methanesulfonate; N-[2-(diethylamino)ethyl]-4-methoxy-9-oxoxanthene-1-amine monomethanesulfonate; hycanthone methanesulfonate; hycanthone methanesulphonate; hycanth' AND f.ftype IN (3,7,11,12,14) AND ci.sub_id_fk IN (SELECT ci.sub_id_fk AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id  WHERE c.free = 1   )    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?name.synonym=N%2CN-diethyl-2-%7B%5B4-%28hydroxymethyl%29-10-oxo-10H-dibenzo%5Bb%2Ce%5Dthiopyran-1-yl%5Damino%7Dethanaminium+methanesulfonate%3B+N-%5B2-%28diethylamino%29ethyl%5D-4-methoxy-9-oxoxanthene-1-amine+monomethanesulfonate%3B+hycanthone+methanesulfonate%3B+hycanthone+methanesulphonate%3B+hycanth&filter.purchasability=all

Embed Link to Results

<div id="zinc-link"></div> <script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script> <script type="text/javascript"> window.zinc.embed('zinc-link', { "name.synonym": "N,N-diethyl-2-{[4-(hydroxymethyl)-10-oxo-10H-dibenzo[b,e]thiopyran-1-yl]amino}ethanaminium methanesulfonate; N-[2-(diethylamino)ethyl]-4-methoxy-9-oxoxanthene-1-amine monomethanesulfonate; hycanthone methanesulfonate; hycanthone methanesulphonate; hycanth" }); </script>