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)

• 2039743

Parameters Provided:

name.synonym = 4'-(Bis(2-chloroethyl)amino)acetanilide; Acetamide, N-(4-(bis(2-chloroethyl)amino)phenyl)-; Acetanilide, 4'-(bis(2-chloroethyl)amino)-; Acetyl-N-(p-aminophenyl)-nitrogen mustard; BRN 2131179; LS-10479; Lonin 3; N-(4-(Bis(2-chloroethyl)amino)phenyl)acetami
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 '4\'-(Bis(2-chloroethyl)amino)acetanilide; Acetamide, N-(4-(bis(2-chloroethyl)amino)phenyl)-; Acetanilide, 4\'-(bis(2-chloroethyl)amino)-; Acetyl-N-(p-aminophenyl)-nitrogen mustard; BRN 2131179; LS-10479; Lonin 3; N-(4-(Bis(2-chloroethyl)amino)phenyl)acetami' 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=4%27-%28Bis%282-chloroethyl%29amino%29acetanilide%3B+Acetamide%2C+N-%284-%28bis%282-chloroethyl%29amino%29phenyl%29-%3B+Acetanilide%2C+4%27-%28bis%282-chloroethyl%29amino%29-%3B+Acetyl-N-%28p-aminophenyl%29-nitrogen+mustard%3B+BRN+2131179%3B+LS-10479%3B+Lonin+3%3B+N-%284-%28Bis%282-chloroethyl%29amino%29phenyl%29acetami&filter.purchasability=all

Embed Link to Results

<div id="zinc-link"></div> <script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script> <script type="text/javascript"> window.zinc.embed('zinc-link', { "name.synonym": "4\'-(Bis(2-chloroethyl)amino)acetanilide; Acetamide, N-(4-(bis(2-chloroethyl)amino)phenyl)-; Acetanilide, 4\'-(bis(2-chloroethyl)amino)-; Acetyl-N-(p-aminophenyl)-nitrogen mustard; BRN 2131179; LS-10479; Lonin 3; N-(4-(Bis(2-chloroethyl)amino)phenyl)acetami" }); </script>