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 = ( -)-(E)-1-(tert-Butylamino)-3-(2-(2-(3-methyl-5-isoxazolyl)vinyl)phenoxy)-2-propanol; ( -)-(E)-1-(tert-Butylamino)-3-(o-(2-(3-methyl-5-isoxazolyl)vinyl)phenoxy)-2-propanol; Isoxaprolol; Isoxaprolol [INN]; LS-122222; LU 27937
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 '( -)-(E)-1-(tert-Butylamino)-3-(2-(2-(3-methyl-5-isoxazolyl)vinyl)phenoxy)-2-propanol; ( -)-(E)-1-(tert-Butylamino)-3-(o-(2-(3-methyl-5-isoxazolyl)vinyl)phenoxy)-2-propanol; Isoxaprolol; Isoxaprolol [INN]; LS-122222; LU 27937' 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-%28E%29-1-%28tert-Butylamino%29-3-%282-%282-%283-methyl-5-isoxazolyl%29vinyl%29phenoxy%29-2-propanol%3B+%28+-%29-%28E%29-1-%28tert-Butylamino%29-3-%28o-%282-%283-methyl-5-isoxazolyl%29vinyl%29phenoxy%29-2-propanol%3B+Isoxaprolol%3B+Isoxaprolol+%5BINN%5D%3B+LS-122222%3B+LU+27937&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": "( -)-(E)-1-(tert-Butylamino)-3-(2-(2-(3-methyl-5-isoxazolyl)vinyl)phenoxy)-2-propanol; ( -)-(E)-1-(tert-Butylamino)-3-(o-(2-(3-methyl-5-isoxazolyl)vinyl)phenoxy)-2-propanol; Isoxaprolol; Isoxaprolol [INN]; LS-122222; LU 27937" }); </script>