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Analogs

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Popular Name: 1-isobutyl-7-isopropyl-N-(5-methyl-2-pyridyl)-2,4-dioxo-pyrido[2,3-d]pyrimidine-5-carboxamide 1-isobutyl-7-isopropyl-N-(5-meth…

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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) 2.79 9.41 -18.8 2 8 0 110 395.463 5 ↓
Mid Mid (pH 6-8) 3.25 6.97 -65.51 1 8 -1 113 394.455 5 ↓

Analogs

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Popular Name: 1-ethyl-7-isopropyl-N-(5-methyl-2-pyridyl)-2,4-dioxo-pyrido[2,3-d]pyrimidine-5-carboxamide 1-ethyl-7-isopropyl-N-(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) 2.04 8.33 -18.73 2 8 0 110 367.409 4 ↓
Mid Mid (pH 6-8) 2.50 5.81 -64.3 1 8 -1 113 366.401 4 ↓

Analogs

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Popular Name: 7-isopropyl-N-(5-methyl-2-pyridyl)-2,4-dioxo-1-propyl-pyrido[2,3-d]pyrimidine-5-carboxamide 7-isopropyl-N-(5-methyl-2-pyridy…

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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) 2.54 9.09 -18.5 2 8 0 110 381.436 5 ↓
Mid Mid (pH 6-8) 3.00 6.57 -64.68 1 8 -1 113 380.428 5 ↓

Analogs

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Popular Name: 1-isobutyl-7-isopropyl-N-(6-methyl-2-pyridyl)-2,4-dioxo-pyrido[2,3-d]pyrimidine-5-carboxamide 1-isobutyl-7-isopropyl-N-(6-meth…

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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 9.36 -19.07 2 8 0 110 395.463 5 ↓
Mid Mid (pH 6-8) 2.85 7.1 -67.38 1 8 -1 113 394.455 5 ↓

Parameters Provided:

ring.id = 161582
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 = 161582 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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