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)

• 1641141

Parameters Provided:

name.synonym = 2,2-Bis(beta-cyanoethyl)-3-butanone; 4-Acetyl-4-methylheptanedinitrile; 4-Acetyl-4-methylpimelonitrile; AI3-13063; BRN 1769600; Heptanedinitrile, 4-acetyl-4-methyl-; LS-74317; NSC 2767; NSC 404930
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 '2,2-Bis(beta-cyanoethyl)-3-butanone; 4-Acetyl-4-methylheptanedinitrile; 4-Acetyl-4-methylpimelonitrile; AI3-13063; BRN 1769600; Heptanedinitrile, 4-acetyl-4-methyl-; LS-74317; NSC 2767; NSC 404930' 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

Permalink

//zinc12.docking.org/results/combination?name.synonym=2%2C2-Bis%28beta-cyanoethyl%29-3-butanone%3B+4-Acetyl-4-methylheptanedinitrile%3B+4-Acetyl-4-methylpimelonitrile%3B+AI3-13063%3B+BRN+1769600%3B+Heptanedinitrile%2C+4-acetyl-4-methyl-%3B+LS-74317%3B+NSC+2767%3B+NSC+404930&filter.purchasability=all

Embed Link to Results

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