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

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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) 5.45 10.86 -9.24 0 4 0 43 417.53 5 ↓
Lo Low (pH 4.5-6) 5.45 13.72 -50.51 1 4 1 44 418.538 5 ↓

Analogs

13718957
13718957
13718962
13718962

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Popular Name: (2Z)-4-methyl-2-[(3-methyl-2-thienyl)methylene]-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzox (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) 5.82 11.47 -9.27 0 4 0 43 431.557 5 ↓
Lo Low (pH 4.5-6) 5.82 14.32 -50.44 1 4 1 44 432.565 5 ↓

Analogs

22935387
22935387
13690984
13690984
13718562
13718562

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Popular Name: (2Z)-8-(3-phenylpropyl)-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-(3-phenylpropyl)-2-(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) 5.07 10.21 -9.28 0 4 0 43 403.503 5 ↓
Lo Low (pH 4.5-6) 5.07 13.07 -50.71 1 4 1 44 404.511 5 ↓

Analogs

13718957
13718957
13718962
13718962

Draw Identity 99% 90% 80% 70%

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

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) 5.45 10.82 -9.34 0 4 0 43 417.53 5 ↓
Lo Low (pH 4.5-6) 5.45 13.67 -50.74 1 4 1 44 418.538 5 ↓

Parameters Provided:

ring.id = 559951
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 = 559951 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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