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)

• 102
• 2269

Parameters Provided:

name.synonym = (RS)-alpha-(tert-Butylamino)methyl)-7-ethyl-12-benzofuranmethanol; 1-(7-ethylbenzofuran-2-yl)-2-tert-butylamino-1-hydroxyethane; Bufuralol; Bufuralol [BAN:INN]; Bufuralolum [INN-Latin]; C16H23NO2; EINECS 259-112-5; LS-175547; Ro 3-4787; alpha-((tert-Butyl
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 '(RS)-alpha-(tert-Butylamino)methyl)-7-ethyl-12-benzofuranmethanol; 1-(7-ethylbenzofuran-2-yl)-2-tert-butylamino-1-hydroxyethane; Bufuralol; Bufuralol [BAN:INN]; Bufuralolum [INN-Latin]; C16H23NO2; EINECS 259-112-5; LS-175547; Ro 3-4787; alpha-((tert-Butyl' 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=%28RS%29-alpha-%28tert-Butylamino%29methyl%29-7-ethyl-12-benzofuranmethanol%3B+1-%287-ethylbenzofuran-2-yl%29-2-tert-butylamino-1-hydroxyethane%3B+Bufuralol%3B+Bufuralol+%5BBAN%3AINN%5D%3B+Bufuralolum+%5BINN-Latin%5D%3B+C16H23NO2%3B+EINECS+259-112-5%3B+LS-175547%3B+Ro+3-4787%3B+alpha-%28%28tert-Butyl&filter.purchasability=all

Embed Link to Results

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