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Analogs

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Popular Name: (6R,7S)-7-methoxy-3-[(3-methoxypyrazin-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-t (6R,7S)-7-methoxy-3-[(3-methoxyp…

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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) 1.36 4.21 -78.36 1 10 -1 134 507.595 9 ↓

Analogs

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Popular Name: (6S,7S)-7-methoxy-3-[(3-methoxypyrazin-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-t (6S,7S)-7-methoxy-3-[(3-methoxyp…

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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) 1.36 4.12 -80.46 1 10 -1 134 507.595 9 ↓

Analogs

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Popular Name: (6R,7R)-7-methoxy-3-[(3-methoxypyrazin-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-t (6R,7R)-7-methoxy-3-[(3-methoxyp…

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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) 1.36 4.06 -79.21 1 10 -1 134 507.595 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7R)-7-methoxy-3-[(3-methoxypyrazin-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-t (6S,7R)-7-methoxy-3-[(3-methoxyp…

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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) 1.36 4.16 -76.79 1 10 -1 134 507.595 9 ↓

Analogs

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Popular Name: (6R,7S)-7-methoxy-3-[(6-methoxypyrazin-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-t (6R,7S)-7-methoxy-3-[(6-methoxyp…

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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) 1.91 4.26 -72.76 1 10 -1 134 507.595 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7S)-7-methoxy-3-[(6-methoxypyrazin-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-t (6S,7S)-7-methoxy-3-[(6-methoxyp…

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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) 1.91 4.15 -74.92 1 10 -1 134 507.595 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7R)-7-methoxy-3-[(6-methoxypyrazin-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-t (6R,7R)-7-methoxy-3-[(6-methoxyp…

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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) 1.91 4.11 -73.44 1 10 -1 134 507.595 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7R)-7-methoxy-3-[(6-methoxypyrazin-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-t (6S,7R)-7-methoxy-3-[(6-methoxyp…

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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) 1.91 4.19 -71.14 1 10 -1 134 507.595 9 ↓

Analogs

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Popular Name: (6R,7S)-7-methoxy-8-oxo-3-(pyrazin-2-ylsulfanylmethyl)-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabi (6R,7S)-7-methoxy-8-oxo-3-(pyraz…

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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) 1.18 5.44 -73.85 1 9 -1 125 477.569 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7R)-7-methoxy-8-oxo-3-(pyrazin-2-ylsulfanylmethyl)-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabi (6R,7R)-7-methoxy-8-oxo-3-(pyraz…

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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) 1.18 4.78 -75.17 1 9 -1 125 477.569 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7S)-7-methoxy-8-oxo-3-(pyrazin-2-ylsulfanylmethyl)-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabi (6S,7S)-7-methoxy-8-oxo-3-(pyraz…

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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) 1.18 4.82 -76.63 1 9 -1 125 477.569 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7R)-7-methoxy-8-oxo-3-(pyrazin-2-ylsulfanylmethyl)-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabi (6S,7R)-7-methoxy-8-oxo-3-(pyraz…

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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) 1.18 5.39 -72.24 1 9 -1 125 477.569 8 ↓

Parameters Provided:

ring.id = 197046
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 = 197046 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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