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)

• 826
• 2003682
• 2003683
• 2003684

Parameters Provided:

name.synonym = (3-Allyltetrahydro-5-methyl-2-oxo-3-furoyl)urea; 2-Allophanoyl-2-allyl-4-pentanolid; 3-Furancarboxamide, N-(aminocarbonyl)tetrahydro-5-methyl-2-oxo-3-(2-propenyl)-; BRN 1431729; EINECS 221-857-9; HH 10018; LS-158800; Malonamic acid, 2-allyl-N-carbamoyl-2-
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-Allyltetrahydro-5-methyl-2-oxo-3-furoyl)urea; 2-Allophanoyl-2-allyl-4-pentanolid; 3-Furancarboxamide, N-(aminocarbonyl)tetrahydro-5-methyl-2-oxo-3-(2-propenyl)-; BRN 1431729; EINECS 221-857-9; HH 10018; LS-158800; Malonamic acid, 2-allyl-N-carbamoyl-2-' 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=%283-Allyltetrahydro-5-methyl-2-oxo-3-furoyl%29urea%3B+2-Allophanoyl-2-allyl-4-pentanolid%3B+3-Furancarboxamide%2C+N-%28aminocarbonyl%29tetrahydro-5-methyl-2-oxo-3-%282-propenyl%29-%3B+BRN+1431729%3B+EINECS+221-857-9%3B+HH+10018%3B+LS-158800%3B+Malonamic+acid%2C+2-allyl-N-carbamoyl-2-&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-Allyltetrahydro-5-methyl-2-oxo-3-furoyl)urea; 2-Allophanoyl-2-allyl-4-pentanolid; 3-Furancarboxamide, N-(aminocarbonyl)tetrahydro-5-methyl-2-oxo-3-(2-propenyl)-; BRN 1431729; EINECS 221-857-9; HH 10018; LS-158800; Malonamic acid, 2-allyl-N-carbamoyl-2-" }); </script>