UCSF
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Analogs

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Popular Name: N-benzyl-2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-acetamide N-benzyl-2-(6-methyl-7-oxo-2-pyr…

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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) 2.33 9.14 -16.19 1 7 0 80 415.544 6 ↓

Analogs

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Popular Name: N-[(4-methoxyphenyl)methyl]-2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfan N-[(4-methoxyphenyl)methyl]-2-(6…

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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) 2.39 8.44 -17.62 1 8 0 89 445.57 7 ↓

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfany N-[(2-chlorophenyl)methyl]-2-(6-…

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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) 2.96 9.55 -16.75 1 7 0 80 449.989 6 ↓

Analogs

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Popular Name: 2-(6-methyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-N-(p-tolylmethyl)acetamid 2-(6-methyl-7-oxo-2-pyrrolidin-1…

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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) 2.78 9.81 -16.2 1 7 0 80 429.571 6 ↓

Analogs

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Popular Name: N-benzyl-2-(6-ethyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-acetamide N-benzyl-2-(6-ethyl-7-oxo-2-pyrr…

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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 10.07 -16.06 1 7 0 80 429.571 7 ↓

Analogs

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Popular Name: 2-(6-ethyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-N-[(4-methoxyphenyl)methyl 2-(6-ethyl-7-oxo-2-pyrrolidin-1-…

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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) 2.76 9.37 -17.55 1 8 0 89 459.597 8 ↓

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-2-(6-ethyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl N-[(2-chlorophenyl)methyl]-2-(6-…

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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) 3.34 10.49 -16.64 1 7 0 80 464.016 7 ↓

Analogs

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Popular Name: 2-(6-ethyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-N-(p-tolylmethyl)acetamide 2-(6-ethyl-7-oxo-2-pyrrolidin-1-…

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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) 3.15 10.75 -16.08 1 7 0 80 443.598 7 ↓

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-2-(6-ethyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl N-[(4-chlorophenyl)methyl]-2-(6-…

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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) 3.38 10.59 -16.56 1 7 0 80 464.016 7 ↓

Analogs

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Popular Name: 2-(6-ethyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-N-[(4-fluorophenyl)methyl] 2-(6-ethyl-7-oxo-2-pyrrolidin-1-…

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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) 2.87 10.14 -17.1 1 7 0 80 447.561 7 ↓

Analogs

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Popular Name: N-benzyl-2-(6-isopropyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-acetamide N-benzyl-2-(6-isopropyl-7-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) 3.07 10.61 -15.48 1 7 0 80 443.598 7 ↓

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-2-(6-isopropyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulf N-[(4-chlorophenyl)methyl]-2-(6-…

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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) 3.75 11.13 -15.85 1 7 0 80 478.043 7 ↓

Analogs

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Popular Name: N-[(4-fluorophenyl)methyl]-2-(6-isopropyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulf N-[(4-fluorophenyl)methyl]-2-(6-…

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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) 3.23 10.68 -16.44 1 7 0 80 461.588 7 ↓

Analogs

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Popular Name: 2-(6-allyl-7-oxo-2-pyrrolidin-1-yl-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl-N-[(4-fluorophenyl)methyl] 2-(6-allyl-7-oxo-2-pyrrolidin-1-…

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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) 3.14 10.7 -16.67 1 7 0 80 459.572 8 ↓

Parameters Provided:

ring.id = 389386
filter.purchasability = annotated
page.format = targets
page.num = 1
iosrcn = bgt
iosrct = trackref
iocnl3 = legacy

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 = 389386 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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