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Popular Name: 3-[(3S)-3-methylpyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine 3-[(3S)-3-methylpyrrolidin-3-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) 1.38 5.71 -48.13 2 4 1 47 203.269 1 ↓

Analogs

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Popular Name: 3-[(3R)-3-methylpyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine 3-[(3R)-3-methylpyrrolidin-3-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) 1.38 5.85 -46.74 2 4 1 47 203.269 1 ↓

Analogs

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Popular Name: 3-[(3S)-3-ethylpyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine 3-[(3S)-3-ethylpyrrolidin-3-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) 1.71 6.01 -54.99 2 4 1 47 217.296 2 ↓

Analogs

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Popular Name: 3-[(3R)-3-ethylpyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine 3-[(3R)-3-ethylpyrrolidin-3-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) 1.71 5.94 -53.31 2 4 1 47 217.296 2 ↓

Analogs

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Popular Name: 3-[(3S)-3-propylpyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine 3-[(3S)-3-propylpyrrolidin-3-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) 2.27 6.78 -55.32 2 4 1 47 231.323 3 ↓

Analogs

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Popular Name: 3-[(3R)-3-propylpyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine 3-[(3R)-3-propylpyrrolidin-3-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) 2.27 6.69 -53.62 2 4 1 47 231.323 3 ↓

Analogs

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Popular Name: 3-[(3S)-3-methylpyrrolidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine 3-[(3S)-3-methylpyrrolidin-3-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) 2.23 6.68 -46.76 2 4 1 47 271.266 2 ↓

Analogs

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Popular Name: 3-[(3R)-3-methylpyrrolidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine 3-[(3R)-3-methylpyrrolidin-3-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) 2.23 6.82 -45.49 2 4 1 47 271.266 2 ↓

Analogs

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Popular Name: 3-[(3S)-3-ethylpyrrolidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine 3-[(3S)-3-ethylpyrrolidin-3-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) 2.55 6.97 -52.04 2 4 1 47 285.293 3 ↓

Analogs

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Popular Name: 3-[(3R)-3-ethylpyrrolidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine 3-[(3R)-3-ethylpyrrolidin-3-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) 2.55 6.9 -50.72 2 4 1 47 285.293 3 ↓

Analogs

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Popular Name: 3-[(3S)-3-propylpyrrolidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine 3-[(3S)-3-propylpyrrolidin-3-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) 3.11 7.74 -52.45 2 4 1 47 299.32 4 ↓

Analogs

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Popular Name: 3-[(3R)-3-propylpyrrolidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine 3-[(3R)-3-propylpyrrolidin-3-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) 3.11 7.66 -51.06 2 4 1 47 299.32 4 ↓

Analogs

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Popular Name: 8-chloro-3-[(3S)-3-methylpyrrolidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine 8-chloro-3-[(3S)-3-methylpyrroli…

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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) 2.84 7.15 -48.82 2 4 1 47 305.711 2 ↓

Analogs

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Popular Name: 8-chloro-3-[(3R)-3-methylpyrrolidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine 8-chloro-3-[(3R)-3-methylpyrroli…

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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) 2.84 7.29 -47.5 2 4 1 47 305.711 2 ↓

Analogs

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Popular Name: 8-chloro-3-[(3S)-3-ethylpyrrolidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine 8-chloro-3-[(3S)-3-ethylpyrrolid…

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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) 3.16 7.45 -54.8 2 4 1 47 319.738 3 ↓

Analogs

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Popular Name: 8-chloro-3-[(3R)-3-ethylpyrrolidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine 8-chloro-3-[(3R)-3-ethylpyrrolid…

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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) 3.16 7.37 -53.38 2 4 1 47 319.738 3 ↓

Parameters Provided:

ring.id = 307871
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 = 307871 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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