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Analogs

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Popular Name: (7S)-2-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-7-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[ (7S)-2-[(5-isopropyl-1,2,4-oxadi…

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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) 2.94 4.14 -23.86 2 8 0 106 381.436 5 ↓
Mid Mid (pH 6-8) 2.94 4.55 -39.54 3 8 1 107 382.444 5 ↓

Analogs

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Popular Name: (7R)-2-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-7-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[ (7R)-2-[(5-isopropyl-1,2,4-oxadi…

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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) 2.94 4.14 -23.25 2 8 0 106 381.436 5 ↓
Mid Mid (pH 6-8) 2.94 4.54 -40.1 3 8 1 107 382.444 5 ↓

Analogs

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Popular Name: (7S)-7-(4-fluorophenyl)-2-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-5,6,7,8-tetrahydro-1H-imidazo[4 (7S)-7-(4-fluorophenyl)-2-[(5-is…

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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) 3.07 4.91 -23.45 2 7 0 97 369.4 4 ↓
Mid Mid (pH 6-8) 3.07 5.31 -41.96 3 7 1 98 370.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-(4-fluorophenyl)-2-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-5,6,7,8-tetrahydro-1H-imidazo[4 (7R)-7-(4-fluorophenyl)-2-[(5-is…

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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) 3.07 4.92 -23.24 2 7 0 97 369.4 4 ↓
Mid Mid (pH 6-8) 3.07 5.31 -42.13 3 7 1 98 370.408 4 ↓

Parameters Provided:

ring.id = 552523
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 = 552523 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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