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)

• 3943562

Parameters Provided:

name.synonym = 1-(3alpha-Acetoxy-2beta-(1-piperidinyl)-17beta-(propionyloxy)-5alpha-androsta-16beta-yl)-1-allylpiperidinium bromide; 1-Allyl-1-(3alpha,17beta-dihydroxy-2beta-piperidino-5alpha-androstan-16beta-yl)piperidinium bromide, 3-acetate 17-propionate; C37H61N2O4.
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-(3alpha-Acetoxy-2beta-(1-piperidinyl)-17beta-(propionyloxy)-5alpha-androsta-16beta-yl)-1-allylpiperidinium bromide; 1-Allyl-1-(3alpha,17beta-dihydroxy-2beta-piperidino-5alpha-androstan-16beta-yl)piperidinium bromide, 3-acetate 17-propionate; C37H61N2O4.' 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-%283alpha-Acetoxy-2beta-%281-piperidinyl%29-17beta-%28propionyloxy%29-5alpha-androsta-16beta-yl%29-1-allylpiperidinium+bromide%3B+1-Allyl-1-%283alpha%2C17beta-dihydroxy-2beta-piperidino-5alpha-androstan-16beta-yl%29piperidinium+bromide%2C+3-acetate+17-propionate%3B+C37H61N2O4.&filter.purchasability=all

Embed Link to Results

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