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Analogs

35426657
35426657

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Popular Name: N-(3-bromophenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide N-(3-bromophenyl)-2-([1,2,4]tria…

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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) 3.68 9.9 -20.55 1 6 0 72 414.288 4 ↓

Analogs

35426682
35426682
35426685
35426685
35426716
35426716
35426728
35426728
35426738
35426738

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Popular Name: N-(3-bromophenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide N-(3-bromophenyl)-2-[(1-methyl-[…

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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) 3.77 9.65 -21.5 1 6 0 72 428.315 4 ↓

Analogs

35426682
35426682
35426685
35426685
35426711
35426711
35426716
35426716
35426728
35426728

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Popular Name: N-(2,6-dimethylphenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide N-(2,6-dimethylphenyl)-2-[(1-met…

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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) 2.85 10.65 -19.67 1 6 0 72 377.473 4 ↓

Analogs

35426682
35426682
35426685
35426685
35426711
35426711
35426716
35426716
35426728
35426728

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Popular Name: 2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide 2-[(1-methyl-[1,2,4]triazolo[4,3…

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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) 3.25 11.27 -19.5 1 6 0 72 391.5 4 ↓

Analogs

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Popular Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]a N-[2-chloro-5-(trifluoromethyl)p…

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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) 4.48 10.66 -19.12 1 6 0 72 451.861 5 ↓

Analogs

35426722
35426722
35426728
35426728

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Popular Name: N-(4-bromo-2-fluoro-phenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide N-(4-bromo-2-fluoro-phenyl)-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) 3.88 9.75 -17.1 1 6 0 72 446.305 4 ↓

Analogs

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Popular Name: N-(3-chloro-4-methyl-phenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide N-(3-chloro-4-methyl-phenyl)-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) 4.04 10.13 -18.75 1 6 0 72 397.891 4 ↓

Analogs

35426756
35426756
35426770
35426770

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Popular Name: N-(2-bromo-4-methyl-phenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide N-(2-bromo-4-methyl-phenyl)-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) 4.17 10.44 -17.41 1 6 0 72 442.342 4 ↓

Analogs

35426756
35426756
35426770
35426770
35426775
35426775

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Popular Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]a N-[4-chloro-2-(trifluoromethyl)p…

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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) 4.48 10.8 -16.05 1 6 0 72 451.861 5 ↓

Analogs

35426711
35426711
35426716
35426716
35426728
35426728
35426732
35426732
35426738
35426738

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Popular Name: N-(5-chloro-2-methyl-phenyl)-2-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide N-(5-chloro-2-methyl-phenyl)-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) 4.61 10.93 -20.95 1 6 0 72 411.918 5 ↓

Analogs

35426716
35426716
35426728
35426728
35426770
35426770

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Popular Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]ac N-[4-chloro-2-(trifluoromethyl)p…

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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) 5.05 11.34 -15.72 1 6 0 72 465.888 6 ↓

Analogs

35426650
35426650
35426707
35426707
35426709
35426709
35426711
35426711
35426728
35426728

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Popular Name: methyl methyl

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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) 4.34 11.15 -18.55 1 8 0 98 435.509 7 ↓

Analogs

35426728
35426728
35426738
35426738
35503887
35503887

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Popular Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(1-isopropyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfany N-[4-chloro-2-(trifluoromethyl)p…

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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) 5.54 11.9 -15.48 1 6 0 72 479.915 6 ↓

Analogs

35426711
35426711
35426713
35426713
35426716
35426716
35426728
35426728
35426732
35426732

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Popular Name: N-(4-butylphenyl)-2-[(1-isopropyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide N-(4-butylphenyl)-2-[(1-isopropy…

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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) 5.90 13.13 -19.23 1 6 0 72 433.581 8 ↓

Parameters Provided:

ring.id = 568009
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 = 568009 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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