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)

• 5852391
• 5852398

Parameters Provided:

name.synonym = 3-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-1-ethylurea; 3-(3-Acetyl-4-(3-tert-butylamino)-2-hydroxypropoxyphenyl)-1-ethylurea; BRN 2772961; CCRIS 4207; LS-158745; N'-(3-Acetyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-N-eth
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 '3-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-1-ethylurea; 3-(3-Acetyl-4-(3-tert-butylamino)-2-hydroxypropoxyphenyl)-1-ethylurea; BRN 2772961; CCRIS 4207; LS-158745; N\'-(3-Acetyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-N-eth' 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=3-%283-Acetyl-4-%283-%28tert-butylamino%29-2-hydroxypropoxy%29phenyl%29-1-ethylurea%3B+3-%283-Acetyl-4-%283-tert-butylamino%29-2-hydroxypropoxyphenyl%29-1-ethylurea%3B+BRN+2772961%3B+CCRIS+4207%3B+LS-158745%3B+N%27-%283-Acetyl-4-%283-%28%281%2C1-dimethylethyl%29amino%29-2-hydroxypropoxy%29phenyl%29-N-eth&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": "3-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-1-ethylurea; 3-(3-Acetyl-4-(3-tert-butylamino)-2-hydroxypropoxyphenyl)-1-ethylurea; BRN 2772961; CCRIS 4207; LS-158745; N\'-(3-Acetyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-N-eth" }); </script>