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Analogs

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Popular Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholino-ethyl]-1-oxido-pyridin-1-ium-4-carboxamide N-[(2S)-2-(4-methoxyphenyl)-2-mo…

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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) 0.16 3.98 -21.71 1 7 0 76 357.41 6 ↓
Lo Low (pH 4.5-6) 0.16 5.89 -64.1 2 7 1 77 358.418 6 ↓

Analogs

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Popular Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholino-ethyl]-1-oxido-pyridin-1-ium-4-carboxamide N-[(2R)-2-(4-methoxyphenyl)-2-mo…

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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) 0.16 3.44 -22.18 1 7 0 76 357.41 6 ↓
Lo Low (pH 4.5-6) 0.16 5.9 -65.02 2 7 1 77 358.418 6 ↓

Analogs

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Popular Name: N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholino-ethyl]-1-oxido-pyridin-1-ium-4-carboxamide N-[(2S)-2-(3,4-dimethoxyphenyl)-…

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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) -0.25 3.88 -23.31 1 8 0 85 387.436 7 ↓
Lo Low (pH 4.5-6) -0.25 5.8 -67.73 2 8 1 87 388.444 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholino-ethyl]-1-oxido-pyridin-1-ium-4-carboxamide N-[(2R)-2-(3,4-dimethoxyphenyl)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -0.25 3.89 -24 1 8 0 85 387.436 7 ↓
Lo Low (pH 4.5-6) -0.25 5.81 -68.9 2 8 1 87 388.444 7 ↓

Parameters Provided:

ring.id = 245643
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 = 245643 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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