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)

• 3611095
• 3611096

Parameters Provided:

name.synonym = 3756 CB; 4-Hexyl-alpha-methylbenzeneethanamine (E)-2-butenedioate (1:1); Benzeneethanamine, 4-hexyl-alpha-methyl-, (E)-2-butenedioate (1:1); LS-30189; Methyl-1 (hexyl-4 phenyl)-2 ethyl amine fumarate [French]
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 '3756 CB; 4-Hexyl-alpha-methylbenzeneethanamine (E)-2-butenedioate (1:1); Benzeneethanamine, 4-hexyl-alpha-methyl-, (E)-2-butenedioate (1:1); LS-30189; Methyl-1 (hexyl-4 phenyl)-2 ethyl amine fumarate [French]' 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=3756+CB%3B+4-Hexyl-alpha-methylbenzeneethanamine+%28E%29-2-butenedioate+%281%3A1%29%3B+Benzeneethanamine%2C+4-hexyl-alpha-methyl-%2C+%28E%29-2-butenedioate+%281%3A1%29%3B+LS-30189%3B+Methyl-1+%28hexyl-4+phenyl%29-2+ethyl+amine+fumarate+%5BFrench%5D&filter.purchasability=all

Embed Link to Results

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