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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (3R)-3-methyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]pyrrolidine-3-carboxamide (3R)-3-methyl-N-[(2R)-2-methyl-3…

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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) 1.04 2.09 -48.03 4 6 1 84 290.343 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]pyrrolidine-3-carboxamide (3R)-3-methyl-N-[(2S)-2-methyl-3…

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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) 1.04 1.97 -48.2 4 6 1 84 290.343 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]pyrrolidine-3-carboxamide (3S)-3-methyl-N-[(2R)-2-methyl-3…

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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) 1.04 2.15 -47.35 4 6 1 84 290.343 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]pyrrolidine-3-carboxamide (3S)-3-methyl-N-[(2S)-2-methyl-3…

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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) 1.04 2.04 -47.61 4 6 1 84 290.343 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrrolidine-3-carboxamide (3S)-3-methyl-N-(3-oxo-4H-1,4-be…

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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) 0.67 1.36 -48.73 4 6 1 84 276.316 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrrolidine-3-carboxamide (3R)-3-methyl-N-(3-oxo-4H-1,4-be…

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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) 0.67 1.31 -47.78 4 6 1 84 276.316 2 ↓

Analogs

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Popular Name: (3S)-3-ethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrrolidine-3-carboxamide (3S)-3-ethyl-N-(3-oxo-4H-1,4-ben…

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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) 1.01 1.85 -48.74 4 6 1 84 290.343 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrrolidine-3-carboxamide (3R)-3-ethyl-N-(3-oxo-4H-1,4-ben…

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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) 1.01 1.89 -47.42 4 6 1 84 290.343 3 ↓

Parameters Provided:

ring.id = 301161
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 = 301161 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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