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Popular Name: (3S)-8-(cyclobutanecarbonyl)-4-(4-fluorobenzoyl)-N-(3-pyridylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane (3S)-8-(cyclobutanecarbonyl)-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) 1.01 7.02 -17.5 1 8 0 92 480.54 5 ↓
Lo Low (pH 4.5-6) 1.01 7.49 -57.28 2 8 1 93 481.548 5 ↓

Analogs

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Popular Name: (3R)-8-(cyclobutanecarbonyl)-4-(4-fluorobenzoyl)-N-(3-pyridylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane (3R)-8-(cyclobutanecarbonyl)-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) 1.01 6.89 -20.11 1 8 0 92 480.54 5 ↓
Lo Low (pH 4.5-6) 1.01 7.35 -58.52 2 8 1 93 481.548 5 ↓

Analogs

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Popular Name: (3S)-4-benzoyl-8-(cyclobutanecarbonyl)-N-(3-pyridylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxa (3S)-4-benzoyl-8-(cyclobutanecar…

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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) 0.85 6.86 -18.49 1 8 0 92 462.55 5 ↓
Lo Low (pH 4.5-6) 0.85 7.33 -58.41 2 8 1 93 463.558 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-benzoyl-8-(cyclobutanecarbonyl)-N-(3-pyridylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxa (3R)-4-benzoyl-8-(cyclobutanecar…

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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) 0.85 6.94 -20.34 1 8 0 92 462.55 5 ↓
Lo Low (pH 4.5-6) 0.85 7.4 -62.96 2 8 1 93 463.558 5 ↓

Parameters Provided:

ring.id = 20992
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 = 20992 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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