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)

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Parameters Provided:

name.synonym = BRN 0867739; CR 730; Hydrocinnamamide, N-butyl-alpha-((p-chlorobenzoyl)amino)-4-(2-(4-methyl-1-piperazinyl)ethoxy)-, ( -)-; LS-77085; O-(2-(N''-Methylpiperazine)-N'-ethyl)-N-(p-chlorobenzoyl)-DL-tyrosyl-n-butylamide
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 'BRN 0867739; CR 730; Hydrocinnamamide, N-butyl-alpha-((p-chlorobenzoyl)amino)-4-(2-(4-methyl-1-piperazinyl)ethoxy)-, ( -)-; LS-77085; O-(2-(N\'\'-Methylpiperazine)-N\'-ethyl)-N-(p-chlorobenzoyl)-DL-tyrosyl-n-butylamide' 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=BRN+0867739%3B+CR+730%3B+Hydrocinnamamide%2C+N-butyl-alpha-%28%28p-chlorobenzoyl%29amino%29-4-%282-%284-methyl-1-piperazinyl%29ethoxy%29-%2C+%28+-%29-%3B+LS-77085%3B+O-%282-%28N%27%27-Methylpiperazine%29-N%27-ethyl%29-N-%28p-chlorobenzoyl%29-DL-tyrosyl-n-butylamide&filter.purchasability=all

Embed Link to Results

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