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Analogs

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Popular Name: N-(2,5-dichlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide N-(2,5-dichlorophenyl)-2-oxo-3,4…

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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) 3.65 -5.21 -11.19 2 5 0 75 371.245 3 ↓

Analogs

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Popular Name: N-(2-chloro-4-methyl-phenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide N-(2-chloro-4-methyl-phenyl)-2-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) 3.42 4.79 -11.35 2 5 0 75 350.827 3 ↓
Mid Mid (pH 6-8) 3.42 4.85 -43.54 1 5 -1 77 349.819 3 ↓

Analogs

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Popular Name: N-(4-chloro-2-fluoro-phenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide N-(4-chloro-2-fluoro-phenyl)-2-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) 3.14 4.23 -40 1 5 -1 77 353.782 3 ↓
Mid Mid (pH 6-8) 3.14 4.16 -11.53 2 5 0 75 354.79 3 ↓

Analogs

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Popular Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide N-(4-chloro-2-methoxy-5-methyl-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) 3.41 -4.77 -11.78 2 6 0 84 380.853 4 ↓

Analogs

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Popular Name: N-(5-chloro-2-fluoro-phenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide N-(5-chloro-2-fluoro-phenyl)-2-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) 3.14 4.23 -43.13 1 5 -1 77 353.782 3 ↓
Mid Mid (pH 6-8) 3.14 4.15 -11.68 2 5 0 75 354.79 3 ↓

Analogs

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Popular Name: 5-methoxy-4-(2-methoxyethoxy)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzoic 5-methoxy-4-(2-methoxyethoxy)-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) 1.92 -5.43 -52.28 2 10 -1 143 449.461 9 ↓
Hi High (pH 8-9.5) 1.92 -4.98 -121.96 1 10 -2 145 448.453 9 ↓

Analogs

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Popular Name: N-[5-(dimethylsulfamoyl)-2-ethylamino-phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide N-[5-(dimethylsulfamoyl)-2-ethyl…

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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) 1.84 -10.31 -18.76 3 9 0 124 452.558 7 ↓

Analogs

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Popular Name: N-[5-(diethylsulfamoyl)-2-propylamino-phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide N-[5-(diethylsulfamoyl)-2-propyl…

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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) 3.10 -9.87 -18.61 3 9 0 124 494.639 10 ↓

Analogs

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Popular Name: N-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide N-[4-methyl-3-(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) 3.64 -2.74 -12.38 2 5 0 75 384.379 4 ↓
Hi High (pH 8-9.5) 3.64 -2.16 -38.28 1 5 -1 77 383.371 4 ↓

Analogs

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Popular Name: N,N-dimethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide N,N-dimethyl-4-[(2-oxo-3,4-dihyd…

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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) 1.34 -5.3 -19.53 2 7 0 95 373.434 4 ↓
Hi High (pH 8-9.5) 1.34 -4.72 -43.77 1 7 -1 97 372.426 4 ↓

Analogs

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Popular Name: N-[5-(diethylsulfamoyl)-2,3-dimethyl-phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide N-[5-(diethylsulfamoyl)-2,3-dime…

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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) 3.19 -7.91 -18.79 2 8 0 112 465.597 7 ↓
Hi High (pH 8-9.5) 3.19 -7.45 -47.64 1 8 -1 114 464.589 7 ↓

Analogs

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Popular Name: 3-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzoic 3-chloro-2-[(2-oxo-3,4-dihydro-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) 3.04 5.14 -122.21 1 7 -2 117 378.793 4 ↓

Analogs

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Popular Name: 3-methylsulfanyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzoic 3-methylsulfanyl-4-[(2-oxo-3,4-d…

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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) 2.64 4.25 -53.59 2 7 -1 115 391.45 5 ↓
Hi High (pH 8-9.5) 2.64 4.34 -101.57 1 7 -2 117 390.442 5 ↓

Analogs

32087778
32087778
5277404
5277404

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Popular Name: 4-fluoro-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzoic 4-fluoro-3-[(2-oxo-3,4-dihydro-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) 2.37 3.31 -56.6 2 7 -1 115 363.346 4 ↓
Mid Mid (pH 6-8) 2.37 3.38 -108.7 1 7 -2 117 362.338 4 ↓

Analogs

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Popular Name: N-(3,4-dichlorophenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide N-(3,4-dichlorophenyl)-7-fluoro-…

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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) 3.74 4.68 -42.13 1 5 -1 77 388.227 3 ↓
Mid Mid (pH 6-8) 3.74 4.62 -12.49 2 5 0 75 389.235 3 ↓

Analogs

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Popular Name: N-(5-chloro-2-methyl-phenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide N-(5-chloro-2-methyl-phenyl)-7-f…

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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) 3.52 4.54 -13.83 2 5 0 75 368.817 3 ↓
Mid Mid (pH 6-8) 3.52 4.98 -46.19 1 5 -1 77 367.809 3 ↓

Analogs

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Popular Name: N-(4-amino-3,5-dichloro-phenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide N-(4-amino-3,5-dichloro-phenyl)-…

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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) 3.15 2.66 -11.56 4 6 0 101 404.25 3 ↓
Mid Mid (pH 6-8) 3.15 2.72 -42.92 3 6 -1 103 403.242 3 ↓

Analogs

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Popular Name: 7-fluoro-N-[4-methoxy-2-(trifluoromethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide 7-fluoro-N-[4-methoxy-2-(trifluo…

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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 4.11 -43.97 1 6 -1 87 417.36 5 ↓
Mid Mid (pH 6-8) 3.34 3.55 -12.17 2 6 0 85 418.368 5 ↓

Parameters Provided:

ring.id = 3364
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 = 3364 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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