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)

• 3630950

Parameters Provided:

name.synonym = 1-(4-(Hexahydro-1H-azepin-1-yl)-2-butynyl)-2-pyrrolidinone fumarate (2:3); 2-Pyrrolidinone, 1-(4-(hexahydro-1H-azepin-1-yl)-2-butynyl)-, fumarate (2:3); LS-138831; PN 309
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 '1-(4-(Hexahydro-1H-azepin-1-yl)-2-butynyl)-2-pyrrolidinone fumarate (2:3); 2-Pyrrolidinone, 1-(4-(hexahydro-1H-azepin-1-yl)-2-butynyl)-, fumarate (2:3); LS-138831; PN 309' 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=1-%284-%28Hexahydro-1H-azepin-1-yl%29-2-butynyl%29-2-pyrrolidinone+fumarate+%282%3A3%29%3B+2-Pyrrolidinone%2C+1-%284-%28hexahydro-1H-azepin-1-yl%29-2-butynyl%29-%2C+fumarate+%282%3A3%29%3B+LS-138831%3B+PN+309&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": "1-(4-(Hexahydro-1H-azepin-1-yl)-2-butynyl)-2-pyrrolidinone fumarate (2:3); 2-Pyrrolidinone, 1-(4-(hexahydro-1H-azepin-1-yl)-2-butynyl)-, fumarate (2:3); LS-138831; PN 309" }); </script>