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)

• 1693404

Parameters Provided:

name.synonym = 1-Pentanamine, N-pentyl-; AI3-15326; Amine, dipentyl; BRN 0906746; CCRIS 6225; DI-N-AMYLAMINE; Di-N-pentylamine; Di-n-amylamine [UN2841] [Flammable liquid]; Diamyl amine; Diamylamine; Dipentylamine; EINECS 218-108-3; HSDB 5864; LS-991; NSC 6329; Pentylami
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-Pentanamine, N-pentyl-; AI3-15326; Amine, dipentyl; BRN 0906746; CCRIS 6225; DI-N-AMYLAMINE; Di-N-pentylamine; Di-n-amylamine [UN2841] [Flammable liquid]; Diamyl amine; Diamylamine; Dipentylamine; EINECS 218-108-3; HSDB 5864; LS-991; NSC 6329; Pentylami' 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=1-Pentanamine%2C+N-pentyl-%3B+AI3-15326%3B+Amine%2C+dipentyl%3B+BRN+0906746%3B+CCRIS+6225%3B+DI-N-AMYLAMINE%3B+Di-N-pentylamine%3B+Di-n-amylamine+%5BUN2841%5D+%5BFlammable+liquid%5D%3B+Diamyl+amine%3B+Diamylamine%3B+Dipentylamine%3B+EINECS+218-108-3%3B+HSDB+5864%3B+LS-991%3B+NSC+6329%3B+Pentylami&filter.purchasability=all

Embed Link to Results

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