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Analogs

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Popular Name: 5-(3-methoxybenzyl)-7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one 5-(3-methoxybenzyl)-7-(trifluoro…

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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) 3.94 0.61 -9.61 0 4 0 32 394.418 4 ↓

Analogs

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Popular Name: 5-(3-methoxybenzyl)-7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one 5-(3-methoxybenzyl)-7-(trifluoro…

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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) 3.94 0.48 -10.25 0 4 0 32 394.418 4 ↓

Analogs

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Popular Name: 5-(3-fluorobenzyl)-7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one 5-(3-fluorobenzyl)-7-(trifluorom…

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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) 4.05 10.24 -8.11 0 3 0 24 382.382 3 ↓

Analogs

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Popular Name: 5-(3-fluorobenzyl)-7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one 5-(3-fluorobenzyl)-7-(trifluorom…

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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) 4.05 10.19 -6.45 0 3 0 24 382.382 3 ↓

Analogs

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Popular Name: 7-(trifluoromethyl)-5-[3-(trifluoromethyl)benzyl]-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one 7-(trifluoromethyl)-5-[3-(triflu…

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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) 4.78 2.77 -8.89 0 3 0 23 432.389 4 ↓

Analogs

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Popular Name: 7-(trifluoromethyl)-5-[3-(trifluoromethyl)benzyl]-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one 7-(trifluoromethyl)-5-[3-(triflu…

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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) 4.78 2.63 -9.48 0 3 0 23 432.389 4 ↓

Analogs

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Popular Name: 5-(4-methylbenzyl)-7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one 5-(4-methylbenzyl)-7-(trifluorom…

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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) 4.36 10.85 -6.51 0 3 0 24 378.419 3 ↓

Analogs

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Popular Name: 5-(4-methylbenzyl)-7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one 5-(4-methylbenzyl)-7-(trifluorom…

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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) 4.36 10.8 -6.48 0 3 0 24 378.419 3 ↓

Analogs

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Popular Name: 5-(2,6-dimethylbenzyl)-7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one 5-(2,6-dimethylbenzyl)-7-(triflu…

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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) 4.71 10.87 -5.58 0 3 0 24 392.446 3 ↓

Analogs

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Popular Name: 5-(2,6-dimethylbenzyl)-7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one 5-(2,6-dimethylbenzyl)-7-(triflu…

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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) 4.71 11.41 -6.62 0 3 0 24 392.446 3 ↓

Analogs

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Popular Name: 5-(3-chlorobenzyl)-7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one 5-(3-chlorobenzyl)-7-(trifluorom…

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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) 4.56 0.46 -6.68 0 3 0 23 398.837 3 ↓

Analogs

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Popular Name: 5-(3-chlorobenzyl)-7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one 5-(3-chlorobenzyl)-7-(trifluorom…

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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) 4.56 0.32 -8.53 0 3 0 23 398.837 3 ↓

Analogs

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Popular Name: 5-(2-chloro-6-fluorobenzyl)-7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one 5-(2-chloro-6-fluorobenzyl)-7-(t…

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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) 4.65 0.99 -7.28 0 3 0 23 416.827 3 ↓

Analogs

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Popular Name: 5-(2-chloro-6-fluorobenzyl)-7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one 5-(2-chloro-6-fluorobenzyl)-7-(t…

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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) 4.65 0.95 -8.48 0 3 0 23 416.827 3 ↓

Analogs

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Popular Name: 7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one 7-(trifluoromethyl)-3,3a-dihydro…

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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) 2.26 -1.43 -6.6 1 3 0 32 274.267 1 ↓

Analogs

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Popular Name: 7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one 7-(trifluoromethyl)-3,3a-dihydro…

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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) 2.26 -1.58 -7.14 1 3 0 32 274.267 1 ↓

Parameters Provided:

ring.id = 228091
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 = 228091 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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