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Analogs

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Popular Name: 4-chloro-N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzenecarboxamide 4-chloro-N-(1,3-dioxo-1,3,3a,4,7…

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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) 0.97 6.36 -13.66 1 5 0 66 304.733 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzenecarboxamide 4-chloro-N-(1,3-dioxo-1,3,3a,4,7…

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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) 0.97 6.32 -12.72 1 5 0 66 304.733 2 ↓
Hi High (pH 8-9.5) 2.05 4.66 -51.92 0 5 -1 73 303.725 2 ↓
Hi High (pH 8-9.5) 2.05 4.66 -51.85 0 5 -1 73 303.725 2 ↓

Analogs

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Popular Name: N-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]benzamide N-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a…

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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) 0.29 5.84 -15.3 1 5 0 66 270.288 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]benzamide N-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a…

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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) 0.29 5.8 -14.3 1 5 0 66 270.288 2 ↓
Ref Reference (pH 7) 0.29 5.8 -14.3 1 5 0 66 270.288 2 ↓
Hi High (pH 8-9.5) 1.37 4.14 -58.26 0 5 -1 73 269.28 2 ↓

Parameters Provided:

ring.id = 42076
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 = 42076 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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