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Analogs

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Popular Name: N-(2-ethylphenyl)-2-[5-methyl-7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(2-ethylphenyl)-2-[5-methyl-7-…

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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) 2.42 8.95 -19.95 1 7 0 90 405.483 5 ↓
Lo Low (pH 4.5-6) 2.42 9.4 -50.45 2 7 1 91 406.491 5 ↓

Analogs

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Popular Name: 2-[5-methyl-7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]-N-(m-tolyl)acetamide 2-[5-methyl-7-oxo-3-(4-pyridyl)i…

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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) 1.98 7.94 -20.48 1 7 0 90 391.456 4 ↓
Lo Low (pH 4.5-6) 1.98 8.41 -51 2 7 1 91 392.464 4 ↓

Analogs

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Popular Name: 2-[7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]-N-(p-tolyl)acetamide 2-[7-oxo-3-(4-pyridyl)isothiazol…

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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) 1.91 8.09 -21.34 1 7 0 90 377.429 4 ↓
Lo Low (pH 4.5-6) 1.91 8.56 -51.79 2 7 1 91 378.437 4 ↓

Analogs

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Popular Name: 2-[7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]-N-[2-(trifluoromethyl)phenyl]acetamide 2-[7-oxo-3-(4-pyridyl)isothiazol…

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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) 2.31 8.68 -19.43 1 7 0 90 431.399 5 ↓
Lo Low (pH 4.5-6) 2.31 9.14 -50.78 2 7 1 91 432.407 5 ↓

Analogs

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Popular Name: N-(2-ethylphenyl)-2-[7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(2-ethylphenyl)-2-[7-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) 2.33 9.1 -21.39 1 7 0 90 391.456 5 ↓
Lo Low (pH 4.5-6) 2.33 9.56 -51.77 2 7 1 91 392.464 5 ↓

Analogs

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Popular Name: N-(4-methoxyphenyl)-2-[7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(4-methoxyphenyl)-2-[7-oxo-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) 1.52 6.71 -22.56 1 8 0 99 393.428 5 ↓
Lo Low (pH 4.5-6) 1.52 7.17 -53.44 2 8 1 100 394.436 5 ↓

Analogs

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Popular Name: N-(4-fluorophenyl)-2-[7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(4-fluorophenyl)-2-[7-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) 1.63 7.49 -22.39 1 7 0 90 381.392 4 ↓
Lo Low (pH 4.5-6) 1.63 7.95 -53.28 2 7 1 91 382.4 4 ↓

Analogs

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Popular Name: N-(3-chlorophenyl)-2-[7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(3-chlorophenyl)-2-[7-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) 2.12 7.93 -20.85 1 7 0 90 397.847 4 ↓
Lo Low (pH 4.5-6) 2.12 8.4 -52.16 2 7 1 91 398.855 4 ↓

Analogs

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Popular Name: N-(5-chloro-2-methoxy-phenyl)-2-[7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(5-chloro-2-methoxy-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) 2.13 7.37 -21.52 1 8 0 99 427.873 5 ↓
Lo Low (pH 4.5-6) 2.13 7.82 -51.57 2 8 1 100 428.881 5 ↓

Analogs

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Popular Name: N-(3-fluoro-4-methyl-phenyl)-2-[7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(3-fluoro-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) 2.01 8.12 -21.43 1 7 0 90 395.419 4 ↓
Lo Low (pH 4.5-6) 2.01 8.59 -52.88 2 7 1 91 396.427 4 ↓

Analogs

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Popular Name: N-(3-chloro-4-fluoro-phenyl)-2-[7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(3-chloro-4-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) 2.23 7.98 -22.25 1 7 0 90 415.837 4 ↓
Lo Low (pH 4.5-6) 2.23 8.45 -53.87 2 7 1 91 416.845 4 ↓

Analogs

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Popular Name: N-(3-methylsulfanylphenyl)-2-[7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(3-methylsulfanylphenyl)-2-[7-…

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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) 1.88 8.43 -21.61 1 7 0 90 409.496 5 ↓
Lo Low (pH 4.5-6) 1.88 8.9 -52.56 2 7 1 91 410.504 5 ↓

Analogs

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Popular Name: N-(4-chlorophenyl)-2-[7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(4-chlorophenyl)-2-[7-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) 2.14 7.94 -21.73 1 7 0 90 397.847 4 ↓
Lo Low (pH 4.5-6) 2.14 8.4 -52.58 2 7 1 91 398.855 4 ↓

Analogs

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Popular Name: N-(2,5-dimethylphenyl)-2-[7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(2,5-dimethylphenyl)-2-[7-oxo-…

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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) 2.29 8.95 -21.34 1 7 0 90 391.456 4 ↓
Lo Low (pH 4.5-6) 2.29 9.41 -51.83 2 7 1 91 392.464 4 ↓

Analogs

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Popular Name: N-(3,4-dimethoxyphenyl)-2-[7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(3,4-dimethoxyphenyl)-2-[7-oxo…

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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) 1.11 6.62 -24.95 1 9 0 108 423.454 6 ↓
Lo Low (pH 4.5-6) 1.11 7.09 -56.11 2 9 1 109 424.462 6 ↓

Analogs

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Popular Name: N-(3-chloro-4-methyl-phenyl)-2-[7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]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) 2.52 8.53 -20.9 1 7 0 90 411.874 4 ↓
Lo Low (pH 4.5-6) 2.52 8.99 -52.19 2 7 1 91 412.882 4 ↓

Analogs

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Popular Name: N-(4-acetylphenyl)-2-[7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(4-acetylphenyl)-2-[7-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) 1.36 7.92 -25.16 1 8 0 107 405.439 5 ↓
Lo Low (pH 4.5-6) 1.36 8.38 -57.31 2 8 1 108 406.447 5 ↓

Analogs

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Popular Name: N-(3-fluorophenyl)-2-[7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(3-fluorophenyl)-2-[7-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) 1.60 7.48 -21.4 1 7 0 90 381.392 4 ↓
Lo Low (pH 4.5-6) 1.60 7.95 -52.82 2 7 1 91 382.4 4 ↓

Analogs

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Popular Name: N-(4-ethoxyphenyl)-2-[7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(4-ethoxyphenyl)-2-[7-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) 1.90 7.65 -22.39 1 8 0 99 407.455 6 ↓
Lo Low (pH 4.5-6) 1.90 8.11 -53.29 2 8 1 100 408.463 6 ↓

Analogs

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Popular Name: N-(3-methoxyphenyl)-2-[7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(3-methoxyphenyl)-2-[7-oxo-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) 1.50 6.72 -22.12 1 8 0 99 393.428 5 ↓
Lo Low (pH 4.5-6) 1.50 7.18 -53.01 2 8 1 100 394.436 5 ↓

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-2-[7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(3-chloro-4-methoxy-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) 2.13 7.25 -22.66 1 8 0 99 427.873 5 ↓
Lo Low (pH 4.5-6) 2.13 7.73 -54.34 2 8 1 100 428.881 5 ↓

Analogs

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Popular Name: 2-[7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]-N-(2,4,6-trimethylphenyl)acetamide 2-[7-oxo-3-(4-pyridyl)isothiazol…

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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) 1.73 9.71 -21.32 1 7 0 90 405.483 4 ↓
Lo Low (pH 4.5-6) 1.73 10.17 -52.13 2 7 1 91 406.491 4 ↓

Analogs

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Popular Name: N-(5-chloro-2-methyl-phenyl)-2-[7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]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) 2.52 8.84 -23.91 1 7 0 90 411.874 4 ↓
Lo Low (pH 4.5-6) 2.52 9.3 -53.94 2 7 1 91 412.882 4 ↓

Analogs

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Popular Name: N-(2,4-dimethylphenyl)-2-[7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(2,4-dimethylphenyl)-2-[7-oxo-…

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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) 2.29 8.99 -22.12 1 7 0 90 391.456 4 ↓
Lo Low (pH 4.5-6) 2.29 9.45 -52.33 2 7 1 91 392.464 4 ↓

Analogs

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Popular Name: N-(3-chloro-2-methyl-phenyl)-2-[7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(3-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) 2.50 8.71 -20.82 1 7 0 90 411.874 4 ↓
Lo Low (pH 4.5-6) 2.50 9.17 -52.07 2 7 1 91 412.882 4 ↓

Analogs

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Popular Name: N-(2-ethoxyphenyl)-2-[7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(2-ethoxyphenyl)-2-[7-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) 1.85 7.78 -20.37 1 8 0 99 407.455 6 ↓
Lo Low (pH 4.5-6) 1.85 8.25 -51.03 2 8 1 100 408.463 6 ↓

Analogs

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Popular Name: N-(3,5-dimethylphenyl)-2-[7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(3,5-dimethylphenyl)-2-[7-oxo-…

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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) 2.29 8.77 -21.3 1 7 0 90 391.456 4 ↓
Lo Low (pH 4.5-6) 2.29 9.22 -51.89 2 7 1 91 392.464 4 ↓

Analogs

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Popular Name: N-(5-chloro-2-methoxy-phenyl)-2-[5-methyl-7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]acetam N-(5-chloro-2-methoxy-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) 2.22 7.2 -20.16 1 8 0 99 441.9 5 ↓
Lo Low (pH 4.5-6) 2.22 7.67 -50.04 2 8 1 100 442.908 5 ↓

Analogs

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Popular Name: N-(3-chloro-4-methyl-phenyl)-2-[5-methyl-7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]acetami 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) 2.61 8.38 -22.07 1 7 0 90 425.901 4 ↓
Lo Low (pH 4.5-6) 2.61 8.84 -51.96 2 7 1 91 426.909 4 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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 = 382688 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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