UCSF
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Analogs

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Popular Name: N-[(1S)-1-methyl-3-phenyl-propyl]-2-[2-[(3R)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6- N-[(1S)-1-methyl-3-phenyl-propyl…

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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) 3.41 12.92 -24.53 1 7 0 80 439.585 7 ↓

Analogs

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Popular Name: N-[(1S)-1-methyl-3-phenyl-propyl]-2-[2-[(3S)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6- N-[(1S)-1-methyl-3-phenyl-propyl…

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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) 3.41 12.94 -24.36 1 7 0 80 439.585 7 ↓

Analogs

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Popular Name: 2-[2-[(3R)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(3-phenylpropyl)acetamide 2-[2-[(3R)-3-methyl-1-piperidyl]…

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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) 3.08 11.91 -24.52 1 7 0 80 425.558 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(3S)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(3-phenylpropyl)acetamide 2-[2-[(3S)-3-methyl-1-piperidyl]…

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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) 3.08 11.93 -24.32 1 7 0 80 425.558 7 ↓

Analogs

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Popular Name: (3R)-N-ethyl-1-[6-[2-[[(1S)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl]-7-oxo-thiazolo[4,5-d]pyrimi (3R)-N-ethyl-1-[6-[2-[[(1S)-1-me…

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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) 2.52 11.32 -26.56 2 9 0 109 496.637 9 ↓

Analogs

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Popular Name: (3S)-N-ethyl-1-[6-[2-[[(1S)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl]-7-oxo-thiazolo[4,5-d]pyrimi (3S)-N-ethyl-1-[6-[2-[[(1S)-1-me…

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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) 2.52 11.33 -26.77 2 9 0 109 496.637 9 ↓

Analogs

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Popular Name: (3R)-N-ethyl-1-[7-oxo-6-[2-oxo-2-(3-phenylpropylamino)ethyl]thiazolo[4,5-d]pyrimidin-2-yl]piperidine (3R)-N-ethyl-1-[7-oxo-6-[2-oxo-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) 2.19 10.32 -26.56 2 9 0 109 482.61 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-ethyl-1-[7-oxo-6-[2-oxo-2-(3-phenylpropylamino)ethyl]thiazolo[4,5-d]pyrimidin-2-yl]piperidine (3S)-N-ethyl-1-[7-oxo-6-[2-oxo-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) 2.19 10.33 -26.75 2 9 0 109 482.61 9 ↓

Parameters Provided:

ring.id = 503759
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 = 503759 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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