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Analogs

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Popular Name: 2',2',5,7-tetramethyl-3',4',5',6'-tetrahydrospiro(1,3-diazaadamantane-2,4'-[2'H]-pyran)-6-one 2',2',5,7-tetramethyl-3',4',5',6…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.25 8 -47.88 1 5 1 44 225.316 5 ↓
Hi High (pH 8-9.5) 0.25 5.72 -11.89 0 5 0 43 224.308 5 ↓

Analogs

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Popular Name: 1-({3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)-1,2,3,4-tetrahydroquinoline 1-({3-nitro-5-methyl-1H-pyrazol-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.25 7.99 -48.3 1 5 1 44 225.316 5 ↓
Hi High (pH 8-9.5) 0.25 5.67 -11.74 0 5 0 43 224.308 5 ↓

Parameters Provided:

ring.id = 418932
filter.purchasability = annotated
page.format = targets
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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 418932 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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