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Analogs

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Popular Name: (4R)-6-amino-3-methyl-1-(2-naphthyl)-4-(4-pyridyl)-4H-pyrano[5,6-d]pyrazole-5-carbonitrile (4R)-6-amino-3-methyl-1-(2-napht…

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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) 2.89 8 -11.66 2 6 0 90 379.423 2 ↓
Lo Low (pH 4.5-6) 2.89 8.27 -39.81 3 6 1 91 380.431 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-amino-3-methyl-1-(2-naphthyl)-4-(4-pyridyl)-4H-pyrano[5,6-d]pyrazole-5-carbonitrile (4S)-6-amino-3-methyl-1-(2-napht…

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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) 2.89 8.07 -11.5 2 6 0 90 379.423 2 ↓
Lo Low (pH 4.5-6) 2.89 8.35 -40.4 3 6 1 91 380.431 2 ↓

Parameters Provided:

ring.id = 132968
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 = 132968 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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