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Analogs

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Popular Name: (3R)-3-[(3-methyl-5-nitro-2-pyridyl)amino]piperidin-2-one (3R)-3-[(3-methyl-5-nitro-2-pyri…

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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) 0.90 3.7 -13.85 2 7 0 100 250.258 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(3-methyl-5-nitro-2-pyridyl)amino]piperidin-2-one (3S)-3-[(3-methyl-5-nitro-2-pyri…

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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) 0.90 3.71 -13.8 2 7 0 100 250.258 3 ↓

Analogs

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Popular Name: (3R)-3-[(5-amino-3-methyl-2-pyridyl)amino]piperidin-2-one (3R)-3-[(5-amino-3-methyl-2-pyri…

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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) 0.42 1.23 -26.5 5 5 1 81 221.284 2 ↓
Mid Mid (pH 6-8) 0.42 0.87 -12.88 4 5 0 80 220.276 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(5-amino-3-methyl-2-pyridyl)amino]piperidin-2-one (3S)-3-[(5-amino-3-methyl-2-pyri…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.42 1.23 -26.41 5 5 1 81 221.284 2 ↓
Mid Mid (pH 6-8) 0.42 0.88 -12.83 4 5 0 80 220.276 2 ↓

Analogs

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Popular Name: (3R)-3-[(3-fluoro-2-pyridyl)amino]piperidin-2-one (3R)-3-[(3-fluoro-2-pyridyl)amin…

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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) 0.51 2.33 -11.41 2 4 0 54 209.224 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(3-fluoro-2-pyridyl)amino]piperidin-2-one (3S)-3-[(3-fluoro-2-pyridyl)amin…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.51 2.33 -11.39 2 4 0 54 209.224 2 ↓

Parameters Provided:

ring.id = 22558
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 = 22558 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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