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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl)-5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one 5-(2-Cyclopropyl-1-(2-fluorophen…

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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) 2.92 9.21 -9.01 0 3 0 37 331.412 4 ↓
Hi High (pH 8-9.5) 2.89 11.79 -52.38 3 8 1 92 435.552 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl)-5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one 5-(2-Cyclopropyl-1-(2-fluorophen…

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) 2.92 9.14 -9.42 0 3 0 37 331.412 4 ↓
Hi High (pH 8-9.5) 2.81 10.28 -8.96 1 5 0 54 309.417 4 ↓
Lo Low (pH 4.5-6) 2.92 10.79 -47.21 1 3 1 39 332.42 4 ↓

Parameters Provided:

ring.id = 509442
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 = 509442 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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