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

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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) 2.41 11.73 -24.76 1 7 0 80 419.51 7 ↓

Analogs

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

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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) 3.04 12.15 -25.88 1 7 0 80 453.955 7 ↓

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(p-tolylmethyl)acetamide 2-[2-[benzyl(methyl)amino]-7-oxo…

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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) 2.86 12.4 -25.01 1 7 0 80 433.537 7 ↓

Analogs

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

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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) 2.57 11.8 -25.49 1 7 0 80 437.5 7 ↓

Analogs

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

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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) 2.46 11.03 -25.86 1 8 0 89 449.536 8 ↓

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-[(3-methoxyphenyl)methyl]acetamide 2-[2-[benzyl(methyl)amino]-7-oxo…

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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) 2.44 11.03 -26.68 1 8 0 89 449.536 8 ↓

Analogs

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

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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) 3.09 12.25 -24.95 1 7 0 80 453.955 7 ↓

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-[(2,3-dimethoxyphenyl)methyl]aceta 2-[2-[benzyl(methyl)amino]-7-oxo…

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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 10.97 -27.81 1 9 0 99 479.562 9 ↓

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-[(3,4-dimethoxyphenyl)methyl]aceta 2-[2-[benzyl(methyl)amino]-7-oxo…

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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) 2.05 10.93 -28.43 1 9 0 99 479.562 9 ↓

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-[(3-chloro-4-fluoro-phenyl)methyl] 2-[2-[benzyl(methyl)amino]-7-oxo…

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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) 3.18 12.29 -26.76 1 7 0 80 471.945 7 ↓

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-[(2,4-difluorophenyl)methyl]acetam 2-[2-[benzyl(methyl)amino]-7-oxo…

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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) 2.66 11.82 -26.82 1 7 0 80 455.49 7 ↓

Parameters Provided:

ring.id = 503635
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 = 503635 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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