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Analogs

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Popular Name: 3,6-dimethyl-4-oxo-N-(3-pyridyl)furo[2,3-d]pyrimidine-5-carboxamide 3,6-dimethyl-4-oxo-N-(3-pyridyl)…

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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) 0.14 3.09 -21.31 1 7 0 90 284.275 2 ↓

Analogs

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Popular Name: N-(2-chloro-3-pyridyl)-3,6-dimethyl-4-oxo-furo[2,3-d]pyrimidine-5-carboxamide N-(2-chloro-3-pyridyl)-3,6-dimet…

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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) 0.94 3.63 -21.14 1 7 0 90 318.72 2 ↓

Analogs

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Popular Name: N-(6-acetamido-3-pyridyl)-3,6-dimethyl-4-oxo-furo[2,3-d]pyrimidine-5-carboxamide N-(6-acetamido-3-pyridyl)-3,6-di…

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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) -0.30 3.42 -27.94 2 9 0 119 341.327 3 ↓

Analogs

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Popular Name: 3-isobutyl-6-methyl-4-oxo-N-(3-pyridyl)furo[2,3-d]pyrimidine-5-carboxamide 3-isobutyl-6-methyl-4-oxo-N-(3-p…

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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) 1.26 4.9 -19.81 1 7 0 90 326.356 4 ↓

Analogs

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Popular Name: 3-(2-methoxyethyl)-6-methyl-4-oxo-N-(6-sulfamoyl-3-pyridyl)furo[2,3-d]pyrimidine-5-carboxamide 3-(2-methoxyethyl)-6-methyl-4-ox…

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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) -0.68 -1.63 -29.79 3 11 0 159 407.408 6 ↓

Analogs

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Popular Name: 6-methyl-4-oxo-N-(3-pyridyl)-3H-furo[2,3-d]pyrimidine-5-carboxamide 6-methyl-4-oxo-N-(3-pyridyl)-3H-…

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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 1.36 -20.87 2 7 0 101 270.248 2 ↓
Mid Mid (pH 6-8) 0.53 -0.78 -50.97 1 7 -1 104 269.24 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-methoxyethyl)-6-methyl-4-oxo-N-(3-pyridyl)furo[2,3-d]pyrimidine-5-carboxamide 3-(2-methoxyethyl)-6-methyl-4-ox…

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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 3.54 -23.84 1 8 0 99 328.328 5 ↓

Parameters Provided:

ring.id = 391467
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 = 391467 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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