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Analogs

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Popular Name: 3-(3-fluorophenyl)-5-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-6,7-dihydro-4H-isoxazolo[4,5-c]pyridi 3-(3-fluorophenyl)-5-[(5-isobuty…

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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) 3.04 6.58 -13.3 0 6 0 68 356.401 5 ↓
Mid Mid (pH 6-8) 3.04 9.01 -46.48 1 6 1 69 357.409 5 ↓

Analogs

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Popular Name: 3-(3-fluorophenyl)-5-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-6,7-dihydro-4H-isoxazolo[4,5-c]pyrid 3-(3-fluorophenyl)-5-[(5-isoprop…

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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) 2.78 5.88 -13.33 0 6 0 68 342.374 4 ↓
Mid Mid (pH 6-8) 2.78 8.1 -46.11 1 6 1 69 343.382 4 ↓

Analogs

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Popular Name: 5-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-isox 5-[[5-(methoxymethyl)-1,2,4-oxad…

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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) 2.45 4.42 -12.26 0 7 0 77 394.353 6 ↓
Mid Mid (pH 6-8) 2.45 6.72 -53.6 1 7 1 79 395.361 6 ↓

Analogs

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Popular Name: 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3,4-difluorophenyl)-6,7-dihydro-4H-isoxazolo[4,5-c] 5-[(5-tert-butyl-1,2,4-oxadiazol…

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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) 3.56 6.45 -13.03 0 6 0 68 374.391 4 ↓
Lo Low (pH 4.5-6) 3.56 8.67 -48.96 1 6 1 69 375.399 4 ↓

Parameters Provided:

ring.id = 585844
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 = 585844 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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