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Analogs

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Popular Name: 4-(azepan-1-yl)-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide 4-(azepan-1-yl)-4-oxo-N-([1,2,4]…

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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) 1.75 9.38 -14.51 1 7 0 83 315.377 3 ↓
Hi High (pH 8-9.5) 1.75 8.94 -61.94 0 7 -1 86 314.369 4 ↓

Analogs

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Popular Name: 4-(azepan-1-yl)-N-(5-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4-oxo-butanamide 4-(azepan-1-yl)-N-(5-ethoxy-[1,2…

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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) 2.30 9.39 -16.6 1 8 0 92 359.43 5 ↓
Hi High (pH 8-9.5) 2.31 8.67 -65.69 0 8 -1 95 358.422 6 ↓

Parameters Provided:

ring.id = 386381
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 = 386381 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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