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Analogs

44512524
44512524

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Popular Name: 4-(4-aminopiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one 4-(4-aminopiperidine-1-carbonyl)…

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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) -1.49 -1.53 -58.24 5 6 1 97 211.245 1 ↓

Analogs

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Popular Name: 4-methyl-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylic 4-methyl-1-(2-oxo-1,3-dihydroimi…

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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) -0.49 2.02 -54.73 2 7 -1 109 252.25 2 ↓

Analogs

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Popular Name: 4-ethyl-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylic 4-ethyl-1-(2-oxo-1,3-dihydroimid…

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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) -0.16 2.52 -54.05 2 7 -1 109 266.277 3 ↓

Analogs

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Popular Name: 1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-4-propyl-piperidine-4-carboxylic 1-(2-oxo-1,3-dihydroimidazole-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) 0.40 3.28 -54.48 2 7 -1 109 280.304 4 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-3-carboxylic (3S)-3-methyl-1-(2-oxo-1,3-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) -0.49 2.48 -54.29 2 7 -1 109 252.25 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-3-carboxylic (3R)-3-methyl-1-(2-oxo-1,3-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) -0.49 2.5 -53.83 2 7 -1 109 252.25 2 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-3-carboxylic (3S)-3-ethyl-1-(2-oxo-1,3-dihydr…

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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) -0.16 2.93 -52.49 2 7 -1 109 266.277 3 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-3-carboxylic (3R)-3-ethyl-1-(2-oxo-1,3-dihydr…

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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) -0.16 2.98 -52.05 2 7 -1 109 266.277 3 ↓

Analogs

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Popular Name: (3S)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-3-propyl-piperidine-3-carboxylic (3S)-1-(2-oxo-1,3-dihydroimidazo…

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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) 0.40 3.7 -52.92 2 7 -1 109 280.304 4 ↓

Analogs

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Popular Name: (3R)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-3-propyl-piperidine-3-carboxylic (3R)-1-(2-oxo-1,3-dihydroimidazo…

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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) 0.40 3.73 -52.28 2 7 -1 109 280.304 4 ↓

Analogs

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Popular Name: 4-[(3R,4R)-3-amino-4-methyl-piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one 4-[(3R,4R)-3-amino-4-methyl-pipe…

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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) -1.01 -1.12 -57.96 5 6 1 97 225.272 1 ↓
Hi High (pH 8-9.5) -1.01 -0.99 -12.04 4 6 0 95 224.264 1 ↓

Analogs

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Popular Name: 4-[(3R,4S)-3-amino-4-methyl-piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one 4-[(3R,4S)-3-amino-4-methyl-pipe…

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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) -1.01 -0.9 -58.2 5 6 1 97 225.272 1 ↓
Hi High (pH 8-9.5) -1.01 -1.21 -11.45 4 6 0 95 224.264 1 ↓

Analogs

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Popular Name: 4-[(3S,4R)-3-amino-4-methyl-piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one 4-[(3S,4R)-3-amino-4-methyl-pipe…

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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) -1.01 -0.9 -54.96 5 6 1 97 225.272 1 ↓
Hi High (pH 8-9.5) -1.01 -1.16 -12.62 4 6 0 95 224.264 1 ↓

Analogs

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Popular Name: 4-[(3S,4S)-3-amino-4-methyl-piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one 4-[(3S,4S)-3-amino-4-methyl-pipe…

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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) -1.01 -1.12 -54.66 5 6 1 97 225.272 1 ↓
Hi High (pH 8-9.5) -1.01 -0.75 -11.65 4 6 0 95 224.264 1 ↓

Analogs

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Popular Name: 4-[4-(2-aminoethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one 4-[4-(2-aminoethyl)piperidine-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) -0.72 -0.15 -56.36 5 6 1 97 239.299 3 ↓

Analogs

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Popular Name: 4-[4-[2-(methylamino)ethyl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one 4-[4-[2-(methylamino)ethyl]piper…

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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) 0.26 1.71 -52.36 4 6 1 86 253.326 4 ↓

Analogs

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Popular Name: 4-[(2S)-2-[2-(methylamino)ethyl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one 4-[(2S)-2-[2-(methylamino)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) 0.20 1.46 -45.76 4 6 1 86 253.326 4 ↓

Analogs

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Popular Name: 4-[(2R)-2-[2-(methylamino)ethyl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one 4-[(2R)-2-[2-(methylamino)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) 0.20 1.46 -45.62 4 6 1 86 253.326 4 ↓

Parameters Provided:

ring.id = 109852
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 = 109852 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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