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Analogs

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Popular Name: (2S,4R)-1-(1,3-benzothiazol-2-yl)-4-methoxy-pyrrolidine-2-carboxylic (2S,4R)-1-(1,3-benzothiazol-2-yl…

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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) 0.48 4.58 -54.25 0 5 -1 65 277.325 3 ↓

Analogs

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Popular Name: (2S,4S)-1-(1,3-benzothiazol-2-yl)-4-methoxy-pyrrolidine-2-carboxylic (2S,4S)-1-(1,3-benzothiazol-2-yl…

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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) 0.48 3.83 -59.09 0 5 -1 65 277.325 3 ↓

Analogs

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Popular Name: (2R,4R)-1-(1,3-benzothiazol-2-yl)-4-methoxy-pyrrolidine-2-carboxylic (2R,4R)-1-(1,3-benzothiazol-2-yl…

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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) 0.48 4.6 -55.46 0 5 -1 65 277.325 3 ↓

Analogs

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Popular Name: (2R,4S)-1-(1,3-benzothiazol-2-yl)-4-methoxy-pyrrolidine-2-carboxylic (2R,4S)-1-(1,3-benzothiazol-2-yl…

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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) 0.48 4.77 -60.71 0 5 -1 65 277.325 3 ↓

Analogs

32107241
32107241

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Popular Name: 5-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole 5-methoxy-2-pyrrolidin-1-yl-1,3-…

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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) 3.03 -2.83 -8.64 0 3 0 25 234.324 2 ↓

Analogs

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Popular Name: 7-chloro-4-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole 7-chloro-4-methoxy-2-pyrrolidin-…

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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 -2.98 -9.55 0 3 0 25 268.769 2 ↓

Analogs

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Popular Name: (1-(benzo[d]thiazol-2-yl)pyrrolidin-2-yl)methanamine (1-(benzo[d]thiazol-2-yl)pyrroli…

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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) 1.79 5.01 -52.6 3 3 1 44 234.348 2 ↓

Analogs

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Popular Name: (1-(benzo[d]thiazol-2-yl)pyrrolidin-2-yl)methanamine (1-(benzo[d]thiazol-2-yl)pyrroli…

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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) 1.79 5.01 -52.56 3 3 1 44 234.348 2 ↓

Analogs

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Popular Name: (3S)-1-(1,3-benzothiazol-2-yl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(1,3-benzothiazol-2-yl)-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) 2.59 8.13 -50.17 0 4 -1 56 261.326 2 ↓

Analogs

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Popular Name: (3R)-1-(1,3-benzothiazol-2-yl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(1,3-benzothiazol-2-yl)-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) 2.59 8.16 -48.02 0 4 -1 56 261.326 2 ↓

Analogs

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Popular Name: (3S)-1-(1,3-benzothiazol-2-yl)-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(1,3-benzothiazol-2-yl)-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) 2.92 8.62 -49.3 0 4 -1 56 275.353 3 ↓

Analogs

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Popular Name: (3R)-1-(1,3-benzothiazol-2-yl)-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-(1,3-benzothiazol-2-yl)-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) 2.92 8.62 -48.5 0 4 -1 56 275.353 3 ↓

Analogs

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Popular Name: (3S)-1-(1,3-benzothiazol-2-yl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(1,3-benzothiazol-2-yl)-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) 3.48 9.38 -49.64 0 4 -1 56 289.38 4 ↓

Analogs

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Popular Name: (3R)-1-(1,3-benzothiazol-2-yl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(1,3-benzothiazol-2-yl)-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) 3.48 9.39 -48.78 0 4 -1 56 289.38 4 ↓

Analogs

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Popular Name: (2S)-N,N-dimethyl-1-(6-nitro-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide (2S)-N,N-dimethyl-1-(6-nitro-1,3…

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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) 1.83 7.94 -15.5 0 7 0 82 320.374 3 ↓

Analogs

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Popular Name: (2R)-N,N-dimethyl-1-(6-nitro-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide (2R)-N,N-dimethyl-1-(6-nitro-1,3…

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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) 1.83 7.82 -16.38 0 7 0 82 320.374 3 ↓

Analogs

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Popular Name: (2R)-1-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide (2R)-1-(1,3-benzothiazol-2-yl)py…

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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) 2.28 3.75 -17.25 2 4 0 59 247.323 2 ↓

Analogs

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Popular Name: (2S)-1-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide (2S)-1-(1,3-benzothiazol-2-yl)py…

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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) 2.28 3.78 -17.14 2 4 0 59 247.323 2 ↓

Analogs

39042040
39042040

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Popular Name: (1-(benzo[d]thiazol-2-yl)pyrrolidin-2-yl)methanol (1-(benzo[d]thiazol-2-yl)pyrroli…

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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) 2.36 4.5 -9.87 1 3 0 36 234.324 2 ↓

Parameters Provided:

ring.id = 47738
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 = 47738 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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