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Analogs

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Popular Name: (3R,7aS)-7a-methyl-N-(4-methyl-2-pyridyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxami (3R,7aS)-7a-methyl-N-(4-methyl-2…

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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) 1.17 6.39 -20.36 1 5 0 62 291.376 2 ↓

Analogs

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Popular Name: (3S,7aS)-7a-methyl-N-(4-methyl-2-pyridyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxami (3S,7aS)-7a-methyl-N-(4-methyl-2…

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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) 1.17 6.37 -21.76 1 5 0 62 291.376 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,7aR)-7a-methyl-N-(4-methyl-2-pyridyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxami (3R,7aR)-7a-methyl-N-(4-methyl-2…

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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) 1.17 7.19 -21.29 1 5 0 62 291.376 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7aR)-7a-methyl-N-(4-methyl-2-pyridyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxami (3S,7aR)-7a-methyl-N-(4-methyl-2…

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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) 1.17 6.4 -20.28 1 5 0 62 291.376 2 ↓

Analogs

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Popular Name: (3R,7aS)-7a-methyl-N-(6-methyl-2-pyridyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxami (3R,7aS)-7a-methyl-N-(6-methyl-2…

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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) 0.82 6.31 -20.93 1 5 0 62 291.376 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7aS)-7a-methyl-N-(6-methyl-2-pyridyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxami (3S,7aS)-7a-methyl-N-(6-methyl-2…

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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) 0.82 6.29 -22.44 1 5 0 62 291.376 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,7aR)-7a-methyl-N-(6-methyl-2-pyridyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxami (3R,7aR)-7a-methyl-N-(6-methyl-2…

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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) 0.82 7.11 -21.92 1 5 0 62 291.376 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7aR)-7a-methyl-N-(6-methyl-2-pyridyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxami (3S,7aR)-7a-methyl-N-(6-methyl-2…

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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) 0.82 6.32 -20.87 1 5 0 62 291.376 2 ↓

Analogs

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Popular Name: (3R,7aR)-N-(6-bromo-2-pyridyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxamid (3R,7aR)-N-(6-bromo-2-pyridyl)-7…

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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) 1.92 7.06 -24.22 1 5 0 62 356.245 2 ↓

Analogs

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Popular Name: (3R,7aS)-N-(6-bromo-2-pyridyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxamid (3R,7aS)-N-(6-bromo-2-pyridyl)-7…

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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) 1.92 6.24 -22.43 1 5 0 62 356.245 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7aR)-N-(6-bromo-2-pyridyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxamid (3S,7aR)-N-(6-bromo-2-pyridyl)-7…

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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) 1.92 6.24 -22.52 1 5 0 62 356.245 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7aS)-N-(6-bromo-2-pyridyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxamid (3S,7aS)-N-(6-bromo-2-pyridyl)-7…

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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) 1.92 7.14 -24.49 1 5 0 62 356.245 2 ↓

Parameters Provided:

ring.id = 427061
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 = 427061 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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