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Analogs

44513543
44513543

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Popular Name: 2-[2-(4-amino-1-piperidyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-[2-(4-amino-1-piperidyl)ethyl]…

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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) -0.23 3.58 -51.21 3 6 1 70 262.337 3 ↓
Lo Low (pH 4.5-6) -0.23 5.82 -109.67 4 6 2 71 263.345 3 ↓

Analogs

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Popular Name: (2R)-1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidine-2-carboxamide (2R)-1-[2-(3-oxo-[1,2,4]triazolo…

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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) 0.70 5.16 -38.35 3 7 1 87 290.347 4 ↓
Hi High (pH 8-9.5) 0.70 3.09 -17.17 2 7 0 86 289.339 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidine-2-carboxamide (2S)-1-[2-(3-oxo-[1,2,4]triazolo…

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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) 0.70 5.16 -41.99 3 7 1 87 290.347 4 ↓
Hi High (pH 8-9.5) 0.70 3.09 -20 2 7 0 86 289.339 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[4-(2-aminoethyl)-1-piperidyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-[2-[4-(2-aminoethyl)-1-piperid…

Find On: PubMed — Wikipedia — Google

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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) 0.54 7.2 -97.63 4 6 2 71 291.399 5 ↓

Parameters Provided:

ring.id = 110380
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 = 110380 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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