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Popular Name: N-benzyl-4-[[(3,4-dioxo-2-pyrrolidin-1-yl-cyclobuten-1-yl)amino]methyl]-N-methyl-benzamide N-benzyl-4-[[(3,4-dioxo-2-pyrrol…

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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) -1.05 5.91 -37.49 2 6 1 76 404.49 5 ↓
Hi High (pH 8-9.5) -1.05 6.7 -24.03 1 6 0 79 403.482 5 ↓
Hi High (pH 8-9.5) 2.54 7.71 -15.12 1 6 0 73 403.482 6 ↓

Analogs

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Popular Name: 4-[[(3,4-dioxo-2-pyrrolidin-1-yl-cyclobuten-1-yl)amino]methyl]-N-(p-tolylmethyl)benzamide 4-[[(3,4-dioxo-2-pyrrolidin-1-yl…

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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) -0.38 4.85 -35.95 3 6 1 85 404.49 5 ↓
Hi High (pH 8-9.5) 3.21 6.65 -12.76 2 6 0 82 403.482 6 ↓
Mid Mid (pH 6-8) -0.37 5.92 -109.48 4 6 2 87 405.498 5 ↓

Analogs

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Popular Name: 4-[[(3,4-dioxo-2-pyrrolidin-1-yl-cyclobuten-1-yl)amino]methyl]-N-[(2-methoxyphenyl)methyl]benzamide 4-[[(3,4-dioxo-2-pyrrolidin-1-yl…

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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) -0.81 3.51 -37.56 3 7 1 94 420.489 6 ↓
Hi High (pH 8-9.5) 2.77 5.31 -14.4 2 7 0 91 419.481 7 ↓
Mid Mid (pH 6-8) -0.81 4.58 -110.91 4 7 2 96 421.497 6 ↓

Parameters Provided:

ring.id = 57050
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 = 57050 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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