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Popular Name: (5-amino-2-methyl-3-pyridyl)-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (5-amino-2-methyl-3-pyridyl)-[(1…

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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) 0.95 4.94 -10.8 2 5 0 64 284.363 1 ↓
Lo Low (pH 4.5-6) 0.95 5.35 -40.03 3 5 1 65 285.371 1 ↓

Analogs

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Popular Name: (5-amino-2-methyl-3-pyridyl)-[(1S)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (5-amino-2-methyl-3-pyridyl)-[(1…

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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) 0.95 5.1 -11.53 2 5 0 64 284.363 1 ↓
Lo Low (pH 4.5-6) 0.95 5.52 -40.94 3 5 1 65 285.371 1 ↓

Analogs

42252348
42252348

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Popular Name: (5-bromo-3-pyridyl)-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (5-bromo-3-pyridyl)-[(1R)-1,6-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) 1.89 6.99 -7.92 0 4 0 38 334.217 1 ↓

Analogs

42252344
42252344

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Popular Name: (5-bromo-3-pyridyl)-[(1S)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (5-bromo-3-pyridyl)-[(1S)-1,6-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) 1.89 7.22 -7.46 0 4 0 38 334.217 1 ↓

Parameters Provided:

ring.id = 15441
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 = 15441 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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