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Popular Name: (2Z)-4-methyl-8-(3-pyridylmethyl)-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-4-methyl-8-(3-pyridylmethyl…

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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) 3.29 7.37 -10.4 0 5 0 56 390.464 3 ↓
Lo Low (pH 4.5-6) 3.29 7.84 -43.27 1 5 1 57 391.472 3 ↓

Analogs

20650604
20650604

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Popular Name: (2Z)-4-methyl-2-[(3-methyl-2-thienyl)methylene]-8-(3-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzo (2Z)-4-methyl-2-[(3-methyl-2-thi…

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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) 3.66 7.98 -10.49 0 5 0 56 404.491 3 ↓
Lo Low (pH 4.5-6) 3.66 8.45 -43.25 1 5 1 57 405.499 3 ↓

Analogs

20650604
20650604
13722960
13722960
9422861
9422861

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(3-methyl-2-thienyl)methylene]-8-(3-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-o (2Z)-2-[(3-methyl-2-thienyl)meth…

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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) 3.29 7.33 -10.53 0 5 0 56 390.464 3 ↓
Lo Low (pH 4.5-6) 3.29 7.8 -43.42 1 5 1 57 391.472 3 ↓

Parameters Provided:

ring.id = 559983
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 = 559983 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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