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Analogs

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Popular Name: N-methyl-1-(1-thieno[3,2-c]pyridin-4-yl-4-piperidyl)methanamine N-methyl-1-(1-thieno[3,2-c]pyrid…

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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 7.86 -84.06 3 3 2 34 263.41 3 ↓
Hi High (pH 8-9.5) 2.59 7.37 -43.08 2 3 1 33 262.402 3 ↓

Analogs

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Popular Name: N-[(1-thieno[3,2-c]pyridin-4-yl-4-piperidyl)methyl]ethanamine N-[(1-thieno[3,2-c]pyridin-4-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) 2.62 8.73 -83.91 3 3 2 34 277.437 4 ↓
Hi High (pH 8-9.5) 2.62 8.24 -42.12 2 3 1 33 276.429 4 ↓

Analogs

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Popular Name: N-[(1-thieno[3,2-c]pyridin-4-yl-4-piperidyl)methyl]propan-1-amine N-[(1-thieno[3,2-c]pyridin-4-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) 3.12 9.48 -85.4 3 3 2 34 291.464 5 ↓
Hi High (pH 8-9.5) 3.12 9 -43.07 2 3 1 33 290.456 5 ↓

Analogs

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Popular Name: N-[(1-thieno[3,2-c]pyridin-4-yl-4-piperidyl)methyl]propan-2-amine N-[(1-thieno[3,2-c]pyridin-4-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) 3.27 9.24 -83.36 3 3 2 34 291.464 4 ↓
Hi High (pH 8-9.5) 3.27 8.75 -40.86 2 3 1 33 290.456 4 ↓

Analogs

48302659
48302659
33174239
33174239
33174237
33174237
33174376
33174376
33174373
33174373

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Popular Name: 1-thieno[3,2-c]pyridin-4-ylpiperidin-4-amine 1-thieno[3,2-c]pyridin-4-ylpiper…

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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) 1.30 5.21 -91.99 4 3 2 45 235.356 1 ↓
Hi High (pH 8-9.5) 1.30 4.73 -46.25 3 3 1 44 234.348 1 ↓

Analogs

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Popular Name: 4-methyl-1-thieno[3,2-c]pyridin-4-yl-piperidine-4-carboxylic 4-methyl-1-thieno[3,2-c]pyridin-…

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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) 2.30 8.77 -55.6 1 4 0 58 276.361 2 ↓
Hi High (pH 8-9.5) 2.30 8.29 -52.4 0 4 -1 56 275.353 2 ↓

Analogs

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Popular Name: 4-ethyl-1-thieno[3,2-c]pyridin-4-yl-piperidine-4-carboxylic 4-ethyl-1-thieno[3,2-c]pyridin-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) 2.63 9.26 -54.57 1 4 0 58 290.388 3 ↓
Hi High (pH 8-9.5) 2.63 8.78 -51.99 0 4 -1 56 289.38 3 ↓

Analogs

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Popular Name: 4-propyl-1-thieno[3,2-c]pyridin-4-yl-piperidine-4-carboxylic 4-propyl-1-thieno[3,2-c]pyridin-…

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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 9.99 -54.87 1 4 0 58 304.415 4 ↓
Hi High (pH 8-9.5) 3.19 9.51 -52.17 0 4 -1 56 303.407 4 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-thieno[3,2-c]pyridin-4-yl-piperidine-3-carboxylic (3S)-3-methyl-1-thieno[3,2-c]pyr…

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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) 2.30 9.21 -54.21 1 4 0 58 276.361 2 ↓
Hi High (pH 8-9.5) 2.30 8.7 -49.44 0 4 -1 56 275.353 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-thieno[3,2-c]pyridin-4-yl-piperidine-3-carboxylic (3R)-3-methyl-1-thieno[3,2-c]pyr…

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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) 2.30 9.17 -54.17 1 4 0 58 276.361 2 ↓
Hi High (pH 8-9.5) 2.30 8.66 -49.34 0 4 -1 56 275.353 2 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-thieno[3,2-c]pyridin-4-yl-piperidine-3-carboxylic (3S)-3-ethyl-1-thieno[3,2-c]pyri…

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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) 2.63 9.7 -53.49 1 4 0 58 290.388 3 ↓
Hi High (pH 8-9.5) 2.63 9.19 -48.58 0 4 -1 56 289.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-thieno[3,2-c]pyridin-4-yl-piperidine-3-carboxylic (3R)-3-ethyl-1-thieno[3,2-c]pyri…

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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) 2.63 9.59 -34.11 1 4 0 58 290.388 3 ↓
Hi High (pH 8-9.5) 2.63 9.49 -54.1 0 4 -1 56 289.38 3 ↓

Analogs

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Popular Name: (3S)-3-propyl-1-thieno[3,2-c]pyridin-4-yl-piperidine-3-carboxylic (3S)-3-propyl-1-thieno[3,2-c]pyr…

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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 10.45 -54.26 1 4 0 58 304.415 4 ↓
Hi High (pH 8-9.5) 3.19 9.94 -49.14 0 4 -1 56 303.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-propyl-1-thieno[3,2-c]pyridin-4-yl-piperidine-3-carboxylic (3R)-3-propyl-1-thieno[3,2-c]pyr…

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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 10.35 -34.36 1 4 0 58 304.415 4 ↓
Hi High (pH 8-9.5) 3.19 10.25 -54.52 0 4 -1 56 303.407 4 ↓

Analogs

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Popular Name: (3R)-1-(2-ethylthieno[3,2-c]pyridin-4-yl)-N-propyl-piperidine-3-carboxamide (3R)-1-(2-ethylthieno[3,2-c]pyri…

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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) 3.59 9.31 -34.11 2 4 1 46 332.493 5 ↓
Hi High (pH 8-9.5) 3.59 8.84 -9.73 1 4 0 45 331.485 5 ↓

Analogs

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Popular Name: (3S)-1-(2-ethylthieno[3,2-c]pyridin-4-yl)-N-propyl-piperidine-3-carboxamide (3S)-1-(2-ethylthieno[3,2-c]pyri…

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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) 3.59 9.32 -34.2 2 4 1 46 332.493 5 ↓
Hi High (pH 8-9.5) 3.59 8.84 -9.88 1 4 0 45 331.485 5 ↓

Analogs

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Popular Name: [(3S)-1-thieno[3,2-c]pyridin-4-yl-3-piperidyl]methanol [(3S)-1-thieno[3,2-c]pyridin-4-y…

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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) 2.18 5.26 -29.33 2 3 1 38 249.359 2 ↓
Hi High (pH 8-9.5) 2.18 4.79 -7.69 1 3 0 36 248.351 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-1-thieno[3,2-c]pyridin-4-yl-3-piperidyl]methanol [(3R)-1-thieno[3,2-c]pyridin-4-y…

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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) 2.18 5.29 -29.33 2 3 1 38 249.359 2 ↓
Hi High (pH 8-9.5) 2.18 4.81 -7.7 1 3 0 36 248.351 2 ↓

Analogs

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Popular Name: 1-thieno[3,2-c]pyridin-4-ylpiperidin-4-ol 1-thieno[3,2-c]pyridin-4-ylpiper…

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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) 1.06 4.65 -29.38 2 3 1 38 235.332 1 ↓
Hi High (pH 8-9.5) 1.06 4.17 -7.62 1 3 0 36 234.324 1 ↓

Analogs

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Popular Name: (3S)-1-thieno[3,2-c]pyridin-4-ylpiperidin-3-ol (3S)-1-thieno[3,2-c]pyridin-4-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) 1.79 4.61 -29.43 2 3 1 38 235.332 1 ↓
Hi High (pH 8-9.5) 1.79 4.14 -6.56 1 3 0 36 234.324 1 ↓

Analogs

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Popular Name: (3R)-1-thieno[3,2-c]pyridin-4-ylpiperidin-3-ol (3R)-1-thieno[3,2-c]pyridin-4-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) 1.79 4.63 -29.34 2 3 1 38 235.332 1 ↓
Hi High (pH 8-9.5) 1.79 4.15 -6.5 1 3 0 36 234.324 1 ↓

Analogs

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Popular Name: (1-thieno[3,2-c]pyridin-4-yl-4-piperidyl)methanol (1-thieno[3,2-c]pyridin-4-yl-4-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) 2.18 5.27 -29.67 2 3 1 38 249.359 2 ↓
Hi High (pH 8-9.5) 2.18 4.8 -6.65 1 3 0 36 248.351 2 ↓

Analogs

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Popular Name: N-methyl-2-(1-thieno[3,2-c]pyridin-4-yl-4-piperidyl)ethanamine N-methyl-2-(1-thieno[3,2-c]pyrid…

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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) 3.05 8.45 -80.22 3 3 2 34 277.437 4 ↓
Hi High (pH 8-9.5) 3.05 7.97 -42.42 2 3 1 33 276.429 4 ↓

Analogs

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Popular Name: N-methyl-2-[(2S)-1-thieno[3,2-c]pyridin-4-yl-2-piperidyl]ethanamine N-methyl-2-[(2S)-1-thieno[3,2-c]…

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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) 2.99 7.92 -89.06 3 3 2 34 277.437 4 ↓
Hi High (pH 8-9.5) 2.99 7.44 -38.57 2 3 1 33 276.429 4 ↓

Analogs

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Popular Name: N-methyl-2-[(2R)-1-thieno[3,2-c]pyridin-4-yl-2-piperidyl]ethanamine N-methyl-2-[(2R)-1-thieno[3,2-c]…

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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) 2.99 7.92 -89.11 3 3 2 34 277.437 4 ↓
Hi High (pH 8-9.5) 2.99 7.45 -38.54 2 3 1 33 276.429 4 ↓

Parameters Provided:

ring.id = 109329
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 109329 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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