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Popular Name: 2,2,2-trifluoro-N-[(R)-[(1R)-2-phenylcyclohept-2-en-1-yl]-(3,4,5-trimethoxyphenyl)methyl]acetamide 2,2,2-trifluoro-N-[(R)-[(1R)-2-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) 5.43 10.7 -10.7 1 5 0 57 463.496 8 ↓
Hi High (pH 8-9.5) 5.62 8.87 -40.1 0 5 -1 63 462.488 8 ↓

Analogs

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Popular Name: 2,2,2-trifluoro-N-[(R)-[(1S)-2-phenylcyclohept-2-en-1-yl]-(3,4,5-trimethoxyphenyl)methyl]acetamide 2,2,2-trifluoro-N-[(R)-[(1S)-2-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) 5.43 10.79 -10.54 1 5 0 57 463.496 8 ↓
Hi High (pH 8-9.5) 5.62 9.08 -35.14 0 5 -1 63 462.488 8 ↓

Parameters Provided:

ring.id = 479685
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 = 479685 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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