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Popular Name: (3S)-4-(furan-2-carbonyl)-8-(3-methylbutanoyl)-N-(3-pyridylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3 (3S)-4-(furan-2-carbonyl)-8-(3-m…

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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) 1.19 6.42 -18.84 1 9 0 105 454.527 6 ↓
Lo Low (pH 4.5-6) 1.19 6.88 -56.16 2 9 1 106 455.535 6 ↓

Analogs

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Popular Name: (3R)-4-(furan-2-carbonyl)-8-(3-methylbutanoyl)-N-(3-pyridylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3 (3R)-4-(furan-2-carbonyl)-8-(3-m…

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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) 1.19 6.54 -16.61 1 9 0 105 454.527 6 ↓
Lo Low (pH 4.5-6) 1.19 7 -57.75 2 9 1 106 455.535 6 ↓

Analogs

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Popular Name: (3S)-4-(furan-2-carbonyl)-8-propanoyl-N-(3-pyridylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxam (3S)-4-(furan-2-carbonyl)-8-prop…

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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) 0.41 5.05 -19.7 1 9 0 105 426.473 5 ↓
Lo Low (pH 4.5-6) 0.41 5.51 -57.07 2 9 1 106 427.481 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(furan-2-carbonyl)-8-propanoyl-N-(3-pyridylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxam (3R)-4-(furan-2-carbonyl)-8-prop…

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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) 0.41 5.17 -17.4 1 9 0 105 426.473 5 ↓
Lo Low (pH 4.5-6) 0.41 5.63 -58.63 2 9 1 106 427.481 5 ↓

Parameters Provided:

ring.id = 21124
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 = 21124 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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