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Analogs

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Popular Name: N,N-diethyl-3-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-[1,2,4]triazolo[3,4-f]pyridine-6-su N,N-diethyl-3-[(3-isopropyl-1,2,…

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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) 2.43 6.18 -13.96 0 9 0 107 410.525 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-[1,2,4]triazolo[3,4-f]pyridine-6-sulfon N,N-diethyl-3-[(3-ethyl-1,2,4-ox…

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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) 1.95 5.73 -14.02 0 9 0 107 396.498 8 ↓

Analogs

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Popular Name: 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N,N-diethyl-[1,2,4]triazolo[3,4-f]pyridine-6-sulfon 3-[(3-butyl-1,2,4-oxadiazol-5-yl…

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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) 3.01 7.33 -13.64 0 9 0 107 424.552 10 ↓

Analogs

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Popular Name: 2-[5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine 2-[5-([1,2,4]triazolo[4,3-a]pyri…

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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) 1.57 3.7 -50.54 3 7 1 97 291.36 4 ↓
Hi High (pH 8-9.5) 1.57 3.46 -14.06 2 7 0 95 290.352 4 ↓

Parameters Provided:

ring.id = 121753
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 = 121753 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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