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Analogs

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Popular Name: N-(3,4-difluorophenyl)-2-(7-morpholino-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide N-(3,4-difluorophenyl)-2-(7-morp…

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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) 0.90 8.83 -22.12 1 9 0 94 390.35 4 ↓

Analogs

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Popular Name: N-(3-chloro-4-fluoro-phenyl)-2-(7-morpholino-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide N-(3-chloro-4-fluoro-phenyl)-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) 1.42 9.28 -21.56 1 9 0 94 406.805 4 ↓

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-2-(7-morpholino-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide N-(3-chloro-4-methoxy-phenyl)-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) 1.31 8.56 -22.8 1 10 0 103 418.841 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluoro-4-methoxy-phenyl)-2-(7-morpholino-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide N-(3-fluoro-4-methoxy-phenyl)-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) 0.80 8.07 -23.44 1 10 0 103 402.386 5 ↓

Parameters Provided:

ring.id = 564859
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 = 564859 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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