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)

• 3875543
• 84589076

Parameters Provided:

name.synonym = (phenyl-1 acetyl-2 ethyl) 3-hydroxy-4 coumarin;(phenyl-1 acetyl-2 ethyl) 3-hydroxy-4 coumarine;(S)-4-hydroxy-3-(3-oxo-1-phenylbutyl)-2-benzopyrone;1-(4'-Hydroxy-3'-coumarinyl)-1-phenyl-3-butanone;200 Coumarin;3-(1'-Phenyl-2'-acetylethyl)-4-hydroxycoumarin
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 '(phenyl-1 acetyl-2 ethyl) 3-hydroxy-4 coumarin;(phenyl-1 acetyl-2 ethyl) 3-hydroxy-4 coumarine;(S)-4-hydroxy-3-(3-oxo-1-phenylbutyl)-2-benzopyrone;1-(4\'-Hydroxy-3\'-coumarinyl)-1-phenyl-3-butanone;200 Coumarin;3-(1\'-Phenyl-2\'-acetylethyl)-4-hydroxycoumarin' 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=%28phenyl-1+acetyl-2+ethyl%29+3-hydroxy-4+coumarin%3B%28phenyl-1+acetyl-2+ethyl%29+3-hydroxy-4+coumarine%3B%28S%29-4-hydroxy-3-%283-oxo-1-phenylbutyl%29-2-benzopyrone%3B1-%284%27-Hydroxy-3%27-coumarinyl%29-1-phenyl-3-butanone%3B200+Coumarin%3B3-%281%27-Phenyl-2%27-acetylethyl%29-4-hydroxycoumarin&filter.purchasability=all

Embed Link to Results

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