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Analogs

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Popular Name: 3-[(4-methoxyphenyl)methyl]-7,8-dimethyl-1-phenyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one 3-[(4-methoxyphenyl)methyl]-7,8-…

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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) 3.79 13.78 -52.38 1 6 1 52 377.468 4 ↓
Mid Mid (pH 6-8) 3.79 11.72 -13.61 0 6 0 51 376.46 4 ↓

Analogs

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Popular Name: 3-benzyl-1-(2-methoxyphenyl)-7,8-dimethyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one 3-benzyl-1-(2-methoxyphenyl)-7,8…

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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) 3.74 13.98 -47.49 1 6 1 52 377.468 4 ↓
Mid Mid (pH 6-8) 3.74 11.92 -13.22 0 6 0 51 376.46 4 ↓

Analogs

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Popular Name: 3-[(4-chlorophenyl)methyl]-7-ethyl-8-methyl-1-phenyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one 3-[(4-chlorophenyl)methyl]-7-eth…

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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) 4.87 15.72 -54.38 1 5 1 43 395.914 4 ↓
Mid Mid (pH 6-8) 4.87 13.62 -12.75 0 5 0 41 394.906 4 ↓

Analogs

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Popular Name: 7-ethyl-3-[(4-methoxyphenyl)methyl]-8-methyl-1-phenyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one 7-ethyl-3-[(4-methoxyphenyl)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) 4.25 14.5 -52.16 1 6 1 52 391.495 5 ↓
Mid Mid (pH 6-8) 4.25 12.4 -13.61 0 6 0 51 390.487 5 ↓

Parameters Provided:

ring.id = 61443
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 = 61443 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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