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Analogs

31045044
31045044

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Popular Name: [4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]-phenyl-methanone [4-(6-chloropyridine-3-carbonyl)…

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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) 1.14 6.6 -14.9 0 5 0 54 329.787 2 ↓

Analogs

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Popular Name: [4-(5,6-dichloropyridine-3-carbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone [4-(5,6-dichloropyridine-3-carbo…

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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) 1.78 6.28 -14.4 0 6 0 63 394.258 3 ↓

Analogs

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Popular Name: [4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone [4-(5-bromopyridine-3-carbonyl)p…

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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) 0.57 3.92 -14.72 1 6 0 74 390.237 2 ↓

Analogs

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Popular Name: [4-[6-(dimethylamino)pyridine-3-carbonyl]piperazin-1-yl]-(3-fluoro-4-methyl-phenyl)methanone [4-[6-(dimethylamino)pyridine-3-…

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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) 1.10 8.52 -17.3 0 6 0 57 370.428 3 ↓
Lo Low (pH 4.5-6) 1.10 8.82 -46 1 6 1 58 371.436 3 ↓

Parameters Provided:

ring.id = 65673
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 = 65673 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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