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Analogs

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Popular Name: N-butyl-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]acetamide N-butyl-2-[7-(4-methoxyphenyl)-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) 1.94 8.25 -16.41 1 8 0 91 369.425 7 ↓

Analogs

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

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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) 0.48 5.79 -17.1 1 9 0 100 371.397 7 ↓

Analogs

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

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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) 2.15 8.77 -16.37 1 8 0 91 383.452 7 ↓

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,N-dipropyl-acetamide 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) 2.50 11.22 -15.99 0 8 0 82 397.479 8 ↓

Analogs

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

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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) 2.56 11.24 -16.48 0 8 0 82 397.479 8 ↓

Analogs

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Popular Name: N-butyl-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]-N-methyl-acetami N-butyl-2-[7-(4-methoxyphenyl)-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) 2.18 10.33 -17.21 0 8 0 82 383.452 7 ↓

Analogs

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

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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) 1.17 7.53 -16.68 1 8 0 91 355.398 5 ↓

Analogs

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Popular Name: N-tert-butyl-2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl)acetamide N-tert-butyl-2-(5-methyl-3-oxo-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) 1.63 8.71 -15.04 1 7 0 81 339.399 4 ↓

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]acetamide 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) 0.12 4.4 -17.08 2 8 0 105 313.317 4 ↓

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) 0.74 7.75 -15.62 1 10 0 117 399.407 8 ↓

Analogs

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

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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) 0.07 5.09 -16.31 2 7 0 95 283.291 3 ↓

Parameters Provided:

ring.id = 503841
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 = 503841 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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