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Analogs

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Popular Name: (4R)-4-[2-(isopropylamino)pyrimidin-5-yl]-3-methyl-5,7-dihydro-4H-isoxazolo[5,4-b]pyridin-6-one (4R)-4-[2-(isopropylamino)pyrimi…

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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) 0.73 3.99 -9.43 2 7 0 93 287.323 3 ↓

Analogs

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Popular Name: (4S)-4-[2-(isopropylamino)pyrimidin-5-yl]-3-methyl-5,7-dihydro-4H-isoxazolo[5,4-b]pyridin-6-one (4S)-4-[2-(isopropylamino)pyrimi…

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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) 0.73 4.41 -14.45 2 7 0 93 287.323 3 ↓

Analogs

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Popular Name: (4S)-3-methyl-4-[5-(1-methylbenzimidazol-2-yl)-2-furyl]-5,7-dihydro-4H-isoxazolo[5,4-b]pyridin-6-one (4S)-3-methyl-4-[5-(1-methylbenz…

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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) 2.63 6.6 -13.43 1 7 0 86 348.362 2 ↓
Lo Low (pH 4.5-6) 2.63 6.96 -34.34 2 7 1 87 349.37 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-methyl-4-[5-(1-methylbenzimidazol-2-yl)-2-furyl]-5,7-dihydro-4H-isoxazolo[5,4-b]pyridin-6-one (4R)-3-methyl-4-[5-(1-methylbenz…

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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) 2.63 6.8 -18.21 1 7 0 86 348.362 2 ↓
Lo Low (pH 4.5-6) 2.63 7.2 -32.73 2 7 1 87 349.37 2 ↓

Parameters Provided:

ring.id = 402210
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 = 402210 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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