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Analogs

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Popular Name: (2Z)-8-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-2-(3-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzo (2Z)-8-[(3R)-1,1-dioxothiolan-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) 1.51 3.15 -19.48 0 7 0 90 412.467 2 ↓

Analogs

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Popular Name: (2Z)-8-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-2-(3-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzo (2Z)-8-[(3S)-1,1-dioxothiolan-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) 1.51 3.47 -20.1 0 7 0 90 412.467 2 ↓

Analogs

12442588
12442588
12442590
12442590

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Popular Name: (2E)-8-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-o (2E)-8-[(3R)-1,1-dioxothiolan-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) 1.13 2.36 -19 0 7 0 90 398.44 2 ↓

Analogs

12442588
12442588
12442590
12442590

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-8-[(3S)-1,1-dioxothiolan-3-yl]-2-(3-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-o (2E)-8-[(3S)-1,1-dioxothiolan-3-…

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) 1.13 2.68 -19.38 0 7 0 90 398.44 2 ↓

Parameters Provided:

ring.id = 559899
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 = 559899 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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