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Analogs

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Popular Name: 6-phenyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[3,4-f]pyridazin-3-one 6-phenyl-2-[(3-phenyl-1,2,4-oxad…

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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) 3.34 8.71 -23.7 0 8 0 91 370.372 4 ↓

Analogs

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Popular Name: 2-[[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl]-6-phenyl-[1,2,4]triazolo[3,4-f]pyridazin-3-one 2-[[3-(o-tolyl)-1,2,4-oxadiazol-…

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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) 3.75 9.24 -23.87 0 8 0 91 384.399 4 ↓

Analogs

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Popular Name: 6-phenyl-2-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]-[1,2,4]triazolo[3,4-f]pyridazin-3-one 6-phenyl-2-[[3-(p-tolyl)-1,2,4-o…

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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) 3.79 9.38 -23.5 0 8 0 91 384.399 4 ↓

Analogs

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Popular Name: 2-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-phenyl-[1,2,4]triazolo[3,4-f]pyridazin 2-[[3-(4-methylsulfanylphenyl)-1…

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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) 3.78 9.75 -22.83 0 8 0 91 416.466 5 ↓

Analogs

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Popular Name: 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-phenyl-[1,2,4]triazolo[3,4-f]pyridazin-3-one 2-[[3-(4-methoxyphenyl)-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) 3.40 8.03 -23.42 0 9 0 100 400.398 5 ↓

Analogs

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Popular Name: 2-[[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-phenyl-[1,2,4]triazolo[3,4-f]pyridazin-3- 2-[[3-(2,3-dimethoxyphenyl)-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) 3.16 8.35 -27.94 0 10 0 110 430.424 6 ↓

Analogs

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Popular Name: 2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-phenyl-[1,2,4]triazolo[3,4-f]pyridazin-3- 2-[[3-(3,4-dimethoxyphenyl)-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) 2.99 7.95 -25.47 0 10 0 110 430.424 6 ↓

Analogs

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Popular Name: 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-phenyl-[1,2,4]triazolo[3,4-f]pyridazin-3-one 2-[[3-(4-fluorophenyl)-1,2,4-oxa…

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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) 3.51 8.78 -21.85 0 8 0 91 388.362 4 ↓

Analogs

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Popular Name: 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-phenyl-[1,2,4]triazolo[3,4-f]pyridazin-3-one 2-[[3-(4-chlorophenyl)-1,2,4-oxa…

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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) 4.02 9.23 -21.61 0 8 0 91 404.817 4 ↓

Analogs

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Popular Name: 2-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-phenyl-[1,2,4]triazolo[3,4-f]pyridazin-3-one 2-[[3-(4-bromophenyl)-1,2,4-oxad…

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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) 4.15 9.34 -21.45 0 8 0 91 449.268 4 ↓

Analogs

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Popular Name: 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(p-tolyl)-[1,2,4]triazolo[3,4-f]pyridazin-3-on 2-[[3-(4-chlorophenyl)-1,2,4-oxa…

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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) 4.47 9.9 -21.56 0 8 0 91 418.844 4 ↓

Analogs

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Popular Name: 6-(3,4-dimethylphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[3,4-f]pyridazin-3-o 6-(3,4-dimethylphenyl)-2-[(3-phe…

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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) 4.17 9.94 -23.75 0 8 0 91 398.426 4 ↓

Analogs

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Popular Name: 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(3,4-dimethylphenyl)-[1,2,4]triazolo[3,4-f]pyr 2-[[3-(4-chlorophenyl)-1,2,4-oxa…

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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) 4.85 10.46 -21.7 0 8 0 91 432.871 4 ↓

Parameters Provided:

ring.id = 562260
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 = 562260 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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