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Analogs

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Popular Name: 2-[(3,5-dimethylisoxazol-4-yl)methyl]-1,1-dioxo-4-(p-tolyl)pyrido[2,3-e][1,2,4]thiadiazin-3-one 2-[(3,5-dimethylisoxazol-4-yl)me…

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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) 2.53 7.62 -15.29 0 8 0 97 398.444 3 ↓

Analogs

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Popular Name: 2-[(3,5-dimethylisoxazol-4-yl)methyl]-4-(3-methoxyphenyl)-1,1-dioxo-pyrido[2,3-e][1,2,4]thiadiazin-3 2-[(3,5-dimethylisoxazol-4-yl)me…

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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) 2.12 6.36 -17.36 0 9 0 106 414.443 4 ↓

Analogs

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Popular Name: 2-[(3,5-dimethylisoxazol-4-yl)methyl]-4-(4-methoxyphenyl)-1,1-dioxo-pyrido[2,3-e][1,2,4]thiadiazin-3 2-[(3,5-dimethylisoxazol-4-yl)me…

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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) 2.14 6.35 -15.42 0 9 0 106 414.443 4 ↓

Analogs

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Popular Name: 2-[(3,5-dimethylisoxazol-4-yl)methyl]-4-(3-methylsulfanylphenyl)-1,1-dioxo-pyrido[2,3-e][1,2,4]thiad 2-[(3,5-dimethylisoxazol-4-yl)me…

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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) 2.49 8.08 -16.95 0 8 0 97 430.511 4 ↓

Analogs

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Popular Name: 2-[(3,5-dimethylisoxazol-4-yl)methyl]-4-(4-methylsulfanylphenyl)-1,1-dioxo-pyrido[2,3-e][1,2,4]thiad 2-[(3,5-dimethylisoxazol-4-yl)me…

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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) 2.52 8.09 -14.95 0 8 0 97 430.511 4 ↓

Analogs

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Popular Name: 2-[(3,5-dimethylisoxazol-4-yl)methyl]-4-(3-fluorophenyl)-1,1-dioxo-pyrido[2,3-e][1,2,4]thiadiazin-3- 2-[(3,5-dimethylisoxazol-4-yl)me…

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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) 2.22 7.13 -16.02 0 8 0 97 402.407 3 ↓

Analogs

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Popular Name: 4-(3-chlorophenyl)-2-[(3,5-dimethylisoxazol-4-yl)methyl]-1,1-dioxo-pyrido[2,3-e][1,2,4]thiadiazin-3- 4-(3-chlorophenyl)-2-[(3,5-dimet…

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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) 2.74 7.58 -15.36 0 8 0 97 418.862 3 ↓

Analogs

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Popular Name: 2-[(3,5-dimethylisoxazol-4-yl)methyl]-4-(4-fluoro-3-methyl-phenyl)-1,1-dioxo-pyrido[2,3-e][1,2,4]thi 2-[(3,5-dimethylisoxazol-4-yl)me…

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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) 2.62 7.72 -14.52 0 8 0 97 416.434 3 ↓

Parameters Provided:

ring.id = 567651
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 = 567651 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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