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)

• 1587606

Parameters Provided:

name.synonym = 1-Phenyl-3-butanone; 2-Butanone, 4-phenyl-; 4-Phenylbutan-2-one; AI3-15123; BRN 1907123; Benzylacetone; EINECS 219-847-4; LS-46857; Methyl 2-phenylethyl ketone; Methyl phenethyl ketone; Methyl phenylethyl ketone; NSC 44829; NSC 813; Phenethyl methyl keton
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-Phenyl-3-butanone; 2-Butanone, 4-phenyl-; 4-Phenylbutan-2-one; AI3-15123; BRN 1907123; Benzylacetone; EINECS 219-847-4; LS-46857; Methyl 2-phenylethyl ketone; Methyl phenethyl ketone; Methyl phenylethyl ketone; NSC 44829; NSC 813; Phenethyl methyl keton' 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-Phenyl-3-butanone%3B+2-Butanone%2C+4-phenyl-%3B+4-Phenylbutan-2-one%3B+AI3-15123%3B+BRN+1907123%3B+Benzylacetone%3B+EINECS+219-847-4%3B+LS-46857%3B+Methyl+2-phenylethyl+ketone%3B+Methyl+phenethyl+ketone%3B+Methyl+phenylethyl+ketone%3B+NSC+44829%3B+NSC+813%3B+Phenethyl+methyl+keton&filter.purchasability=all

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