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Analogs

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Popular Name: (7Z)-3-(2-methoxyethyl)-9-methyl-7-[(4-phenylphenyl)methylene]-2,4-dihydrofuro[3,2-g][1,3]benzoxazin (7Z)-3-(2-methoxyethyl)-9-methyl…

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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) 5.00 9.94 -11.04 0 5 0 52 427.5 5 ↓
Lo Low (pH 4.5-6) 5.00 12.79 -47.46 1 5 1 53 428.508 5 ↓

Analogs

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Popular Name: (7Z)-3-isopropyl-9-methyl-7-[(4-phenylphenyl)methylene]-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-3-isopropyl-9-methyl-7-[(4-…

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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) 5.69 11.15 -8.86 0 4 0 43 411.501 3 ↓
Mid Mid (pH 6-8) 5.69 14.14 -44.64 1 4 1 44 412.509 3 ↓

Analogs

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Popular Name: (7Z)-3-(3-methoxypropyl)-9-methyl-7-[(4-phenylphenyl)methylene]-2,4-dihydrofuro[3,2-g][1,3]benzoxazi (7Z)-3-(3-methoxypropyl)-9-methy…

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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) 5.27 10.6 -10.74 0 5 0 52 441.527 6 ↓
Lo Low (pH 4.5-6) 5.27 13.48 -51.1 1 5 1 53 442.535 6 ↓

Analogs

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Popular Name: (7Z)-3-isobutyl-9-methyl-7-[(4-phenylphenyl)methylene]-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-3-isobutyl-9-methyl-7-[(4-p…

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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) 6.14 12.55 -8.76 0 4 0 43 425.528 4 ↓
Mid Mid (pH 6-8) 6.14 15.08 -47.13 1 4 1 44 426.536 4 ↓

Parameters Provided:

ring.id = 550949
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 = 550949 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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