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

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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) 4.83 9.17 -8.58 0 4 0 43 409.532 4 ↓
Lo Low (pH 4.5-6) 4.83 12.05 -50.06 1 4 1 44 410.54 4 ↓

Analogs

28541897
28541897

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Popular Name: (2Z)-4-methyl-2-[(3-methyl-2-thienyl)methylene]-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]be (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) 5.20 9.78 -8.66 0 4 0 43 423.559 4 ↓
Lo Low (pH 4.5-6) 5.20 12.64 -49.91 1 4 1 44 424.567 4 ↓

Analogs

28541905
28541905
22935387
22935387
20714124
20714124

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Popular Name: (2Z)-8-[2-(2-thienyl)ethyl]-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-[2-(2-thienyl)ethyl]-2-(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) 4.45 8.52 -8.69 0 4 0 43 395.505 4 ↓

Analogs

28541905
28541905
13718962
13718962
13718957
13718957

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(3-methyl-2-thienyl)methylene]-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin- (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) 4.83 9.13 -8.68 0 4 0 43 409.532 4 ↓
Lo Low (pH 4.5-6) 4.83 11.99 -50.22 1 4 1 44 410.54 4 ↓

Parameters Provided:

ring.id = 559996
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 = 559996 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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