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Popular Name: 2-(6-benzyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(3-phenylpropyl)acetamide 2-(6-benzyl-4-oxo-7,8-dihydro-5H…

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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 13.06 -49.29 2 6 1 68 417.533 8 ↓
Mid Mid (pH 6-8) 2.58 10.77 -20.64 1 6 0 67 416.525 8 ↓

Analogs

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Popular Name: 2-(6-benzyl-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-[(1S)-1-methyl-3-phenyl-pro 2-(6-benzyl-2-methyl-4-oxo-7,8-d…

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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) 3.00 13.9 -49.21 2 6 1 68 445.587 8 ↓
Mid Mid (pH 6-8) 3.00 11.61 -21.22 1 6 0 67 444.579 8 ↓

Analogs

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Popular Name: 2-(6-benzyl-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-[(1R)-1-methyl-3-phenyl-pro 2-(6-benzyl-2-methyl-4-oxo-7,8-d…

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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) 3.00 13.9 -48.8 2 6 1 68 445.587 8 ↓
Mid Mid (pH 6-8) 3.00 11.61 -20.93 1 6 0 67 444.579 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6-benzyl-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(3-phenylpropyl)acetamide 2-(6-benzyl-2-methyl-4-oxo-7,8-d…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 12.89 -49.02 2 6 1 68 431.56 8 ↓
Mid Mid (pH 6-8) 2.67 10.61 -20.89 1 6 0 67 430.552 8 ↓

Parameters Provided:

ring.id = 377276
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 = 377276 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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