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Analogs

9640670
9640670

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Popular Name: 4-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-2-phenyl-6H-pyrazolo[5,1-f][1,3,5]triazin-7-one 4-[2-(4-methyl-1-piperidyl)-2-ox…

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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) 2.85 9.84 -16.06 1 7 0 83 383.477 4 ↓

Analogs

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Popular Name: 2-(2-fluorophenyl)-4-[2-[(2R)-2-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-6H-pyrazolo[1,5-a][1,3,5]tr 2-(2-fluorophenyl)-4-[2-[(2R)-2-…

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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) 3.05 10.11 -19.05 1 7 0 83 401.467 4 ↓

Analogs

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Popular Name: 2-(2-fluorophenyl)-4-[2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-6H-pyrazolo[1,5-a][1,3,5]tr 2-(2-fluorophenyl)-4-[2-[(2S)-2-…

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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) 3.05 10.1 -18.99 1 7 0 83 401.467 4 ↓

Analogs

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Popular Name: 2-(3-fluorophenyl)-4-[2-[(2R)-2-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-6H-pyrazolo[1,5-a][1,3,5]tr 2-(3-fluorophenyl)-4-[2-[(2R)-2-…

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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) 3.07 9.92 -13.42 1 7 0 83 401.467 4 ↓

Analogs

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Popular Name: 2-(3-fluorophenyl)-4-[2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-6H-pyrazolo[1,5-a][1,3,5]tr 2-(3-fluorophenyl)-4-[2-[(2S)-2-…

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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) 3.07 9.91 -13.31 1 7 0 83 401.467 4 ↓

Analogs

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Popular Name: 2-(3-fluorophenyl)-4-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-6H-pyrazolo[1,5-a][1,3,5]triazin 2-(3-fluorophenyl)-4-[2-(4-methy…

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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) 2.98 9.91 -14.14 1 7 0 83 401.467 4 ↓

Analogs

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Popular Name: 2-(4-fluorophenyl)-4-[2-[(2R)-2-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-6H-pyrazolo[1,5-a][1,3,5]tr 2-(4-fluorophenyl)-4-[2-[(2R)-2-…

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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) 3.10 9.92 -15.04 1 7 0 83 401.467 4 ↓

Analogs

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Popular Name: 2-(4-fluorophenyl)-4-[2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-6H-pyrazolo[1,5-a][1,3,5]tr 2-(4-fluorophenyl)-4-[2-[(2S)-2-…

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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) 3.10 9.91 -14.96 1 7 0 83 401.467 4 ↓

Analogs

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Popular Name: 2-(4-fluorophenyl)-4-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-6H-pyrazolo[1,5-a][1,3,5]triazin 2-(4-fluorophenyl)-4-[2-(4-methy…

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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) 3.01 9.91 -15.85 1 7 0 83 401.467 4 ↓

Analogs

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Popular Name: 2-(4-methoxyphenyl)-4-[2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-6H-pyrazolo[1,5-a][1,3,5]t 2-(4-methoxyphenyl)-4-[2-[(2S)-2…

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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) 2.99 9.15 -16.31 1 8 0 93 413.503 5 ↓

Analogs

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Popular Name: 2-(4-methoxyphenyl)-4-[2-[(2R)-2-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-6H-pyrazolo[1,5-a][1,3,5]t 2-(4-methoxyphenyl)-4-[2-[(2R)-2…

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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) 2.99 9.16 -16.44 1 8 0 93 413.503 5 ↓

Analogs

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Popular Name: 2-(4-methoxyphenyl)-4-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-6H-pyrazolo[1,5-a][1,3,5]triazi 2-(4-methoxyphenyl)-4-[2-(4-meth…

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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) 2.90 9.15 -17.21 1 8 0 93 413.503 5 ↓

Analogs

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Popular Name: 2-(4-tert-butylphenyl)-4-[2-[(2R)-2-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-6H-pyrazolo[1,5-a][1,3, 2-(4-tert-butylphenyl)-4-[2-[(2R…

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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) 4.64 12.17 -14.52 1 7 0 83 439.585 5 ↓

Analogs

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Popular Name: 2-(4-tert-butylphenyl)-4-[2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-6H-pyrazolo[1,5-a][1,3, 2-(4-tert-butylphenyl)-4-[2-[(2S…

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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) 4.64 12.16 -14.47 1 7 0 83 439.585 5 ↓

Analogs

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Popular Name: ethyl 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) 2.71 10.78 -19.77 1 9 0 110 441.513 7 ↓

Analogs

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Popular Name: ethyl 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) 2.71 10.78 -19.78 1 9 0 110 441.513 7 ↓

Parameters Provided:

ring.id = 90084
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 = 90084 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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