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)

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Parameters Provided:

name.synonym = ( )-(2S,3S)-8-Chloro-5-(2-(dimethylamino)ethyl)-2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one acetate (ester), maleate (1:1); (S,S)-Clentiazem maleate; 1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-3-(acetyloxy)-8-chloro-5-(2-(dimethy
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 '( )-(2S,3S)-8-Chloro-5-(2-(dimethylamino)ethyl)-2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one acetate (ester), maleate (1:1); (S,S)-Clentiazem maleate; 1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-3-(acetyloxy)-8-chloro-5-(2-(dimethy' 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

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//zinc12.docking.org/results/combination?name.synonym=%28+%29-%282S%2C3S%29-8-Chloro-5-%282-%28dimethylamino%29ethyl%29-2%2C3-dihydro-3-hydroxy-2-%28p-methoxyphenyl%29-1%2C5-benzothiazepin-4%285H%29-one+acetate+%28ester%29%2C+maleate+%281%3A1%29%3B+%28S%2CS%29-Clentiazem+maleate%3B+1%2C5-Benzothiazepin-4%285H%29-one%2C+2%2C3-dihydro-3-%28acetyloxy%29-8-chloro-5-%282-%28dimethy&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": "( )-(2S,3S)-8-Chloro-5-(2-(dimethylamino)ethyl)-2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one acetate (ester), maleate (1:1); (S,S)-Clentiazem maleate; 1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-3-(acetyloxy)-8-chloro-5-(2-(dimethy" }); </script>