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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: N-benzyl-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]acetamide N-benzyl-2-[7-(4-methoxyphenyl)-…

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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) 1.90 9.73 -15.98 1 8 0 91 403.442 6 ↓

Analogs

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Popular Name: N-[(4-methoxyphenyl)methyl]-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2- N-[(4-methoxyphenyl)methyl]-2-[7…

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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) 1.95 9.03 -17.14 1 9 0 100 433.468 7 ↓

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-y N-[(4-chlorophenyl)methyl]-2-[7-…

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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) 2.58 10.25 -16.02 1 8 0 91 437.887 6 ↓

Analogs

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Popular Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidi N-[(2,3-dimethoxyphenyl)methyl]-…

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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) 1.72 8.97 -18.59 1 10 0 109 463.494 8 ↓

Analogs

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Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidi N-[(3,4-dimethoxyphenyl)methyl]-…

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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) 1.54 8.93 -19.38 1 10 0 109 463.494 8 ↓

Analogs

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Popular Name: N-[(3-chloro-4-fluoro-phenyl)methyl]-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyr N-[(3-chloro-4-fluoro-phenyl)met…

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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) 2.67 10.29 -17.33 1 8 0 91 455.877 6 ↓

Analogs

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Popular Name: N-[(4-methoxyphenyl)methyl]-2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl)acetamid N-[(4-methoxyphenyl)methyl]-2-(5…

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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) 1.90 9.72 -16.3 1 8 0 91 403.442 6 ↓

Analogs

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Popular Name: N-[(3-methoxyphenyl)methyl]-2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl)acetamid N-[(3-methoxyphenyl)methyl]-2-(5…

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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) 1.87 9.72 -16.78 1 8 0 91 403.442 6 ↓

Analogs

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Popular Name: N-[(2,3-dimethoxyphenyl)methyl]-2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl)acet N-[(2,3-dimethoxyphenyl)methyl]-…

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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) 1.66 9.66 -17.9 1 9 0 100 433.468 7 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimi N-[(1S)-1-(4-methoxyphenyl)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) 2.51 9.87 -17.76 1 9 0 100 447.495 7 ↓

Analogs

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Popular Name: N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimi N-[(1R)-1-(4-methoxyphenyl)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) 2.51 9.87 -17.56 1 9 0 100 447.495 7 ↓

Analogs

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Popular Name: N-benzyl-N-ethyl-2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl)acetamide N-benzyl-N-ethyl-2-(5-methyl-3-o…

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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 13.4 -16.91 0 7 0 73 401.47 6 ↓

Analogs

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Popular Name: N-[(2,4-difluorophenyl)methyl]-2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl)aceta N-[(2,4-difluorophenyl)methyl]-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) 2.10 10.51 -16.46 1 7 0 81 409.396 5 ↓

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl)acetamide N-[(4-chlorophenyl)methyl]-2-(5-…

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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 10.94 -15.18 1 7 0 81 407.861 5 ↓

Analogs

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Popular Name: N-[(3-chloro-4-fluoro-phenyl)methyl]-2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl N-[(3-chloro-4-fluoro-phenyl)met…

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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) 2.61 10.98 -16.59 1 7 0 81 425.851 5 ↓

Analogs

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Popular Name: 2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]-N-(p-tolylmethyl)acetami 2-[7-(4-methoxyphenyl)-5-methyl-…

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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) 2.35 10.41 -15.9 1 8 0 91 417.469 6 ↓

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-y N-[(2-chlorophenyl)methyl]-2-[7-…

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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) 2.53 10.14 -16.72 1 8 0 91 437.887 6 ↓

Parameters Provided:

ring.id = 503837
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 503837 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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