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 = ( -)-1-(4-(2-Methoxyethyl)phenoxy)-3-((1-methylethyl)nitrosoamino)-2-propanol; 2-Propanol, 1-(4-(2-methoxyethyl)phenoxy)-3-((1-methylethyl)nitrosoamino)-, ( -)-; BRN 4876017; CCRIS 4199; LS-122453; N-Nitrosometoprolol
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 '( -)-1-(4-(2-Methoxyethyl)phenoxy)-3-((1-methylethyl)nitrosoamino)-2-propanol; 2-Propanol, 1-(4-(2-methoxyethyl)phenoxy)-3-((1-methylethyl)nitrosoamino)-, ( -)-; BRN 4876017; CCRIS 4199; LS-122453; N-Nitrosometoprolol' 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=%28+-%29-1-%284-%282-Methoxyethyl%29phenoxy%29-3-%28%281-methylethyl%29nitrosoamino%29-2-propanol%3B+2-Propanol%2C+1-%284-%282-methoxyethyl%29phenoxy%29-3-%28%281-methylethyl%29nitrosoamino%29-%2C+%28+-%29-%3B+BRN+4876017%3B+CCRIS+4199%3B+LS-122453%3B+N-Nitrosometoprolol&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": "( -)-1-(4-(2-Methoxyethyl)phenoxy)-3-((1-methylethyl)nitrosoamino)-2-propanol; 2-Propanol, 1-(4-(2-methoxyethyl)phenoxy)-3-((1-methylethyl)nitrosoamino)-, ( -)-; BRN 4876017; CCRIS 4199; LS-122453; N-Nitrosometoprolol" }); </script>