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)

• 3860608

Parameters Provided:

name.synonym = 2-Cyclohexen-1-one, 3-methyl-; 3-Methyl-2-cyclohexen-1-one; 3-Methyl-2-cyclohexenone; 3-Methylcyclohex-2-en-1-one; AI3-19937; BRN 1560601; Caswell No. 561AB; EINECS 214-769-7; EPA Pesticide Chemical Code 219700; FEMA No. 3360; LS-57586; MCH; Methylcyclohe
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-Cyclohexen-1-one, 3-methyl-; 3-Methyl-2-cyclohexen-1-one; 3-Methyl-2-cyclohexenone; 3-Methylcyclohex-2-en-1-one; AI3-19937; BRN 1560601; Caswell No. 561AB; EINECS 214-769-7; EPA Pesticide Chemical Code 219700; FEMA No. 3360; LS-57586; MCH; Methylcyclohe' 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=2-Cyclohexen-1-one%2C+3-methyl-%3B+3-Methyl-2-cyclohexen-1-one%3B+3-Methyl-2-cyclohexenone%3B+3-Methylcyclohex-2-en-1-one%3B+AI3-19937%3B+BRN+1560601%3B+Caswell+No.+561AB%3B+EINECS+214-769-7%3B+EPA+Pesticide+Chemical+Code+219700%3B+FEMA+No.+3360%3B+LS-57586%3B+MCH%3B+Methylcyclohe&filter.purchasability=all

Embed Link to Results

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