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Analogs

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Popular Name: 1,3,5-trimethyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrazol-4-amine 1,3,5-trimethyl-N-[(4R)-4,5,6,7-…

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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) 2.61 7.03 -6 1 3 0 30 261.394 2 ↓
Mid Mid (pH 6-8) 2.61 7.14 -28.52 2 3 1 31 262.402 2 ↓

Analogs

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Popular Name: 1,3,5-trimethyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrazol-4-amine 1,3,5-trimethyl-N-[(4S)-4,5,6,7-…

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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) 2.61 6.09 -7.23 1 3 0 30 261.394 2 ↓
Mid Mid (pH 6-8) 2.61 6.21 -27.5 2 3 1 31 262.402 2 ↓

Analogs

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Popular Name: 1-methyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrazol-4-amine 1-methyl-N-[(4R)-4,5,6,7-tetrahy…

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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) 2.16 5.56 -6.78 1 3 0 30 233.34 2 ↓
Lo Low (pH 4.5-6) 2.16 5.71 -31.86 2 3 1 31 234.348 2 ↓

Analogs

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Popular Name: 1-methyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrazol-4-amine 1-methyl-N-[(4S)-4,5,6,7-tetrahy…

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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) 2.16 5.42 -6.52 1 3 0 30 233.34 2 ↓
Lo Low (pH 4.5-6) 2.16 5.57 -31.42 2 3 1 31 234.348 2 ↓

Analogs

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Popular Name: N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]-1H-pyrazol-4-amine N-[(4R)-4,5,6,7-tetrahydrobenzot…

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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) 2.10 4.23 -5.89 2 3 0 41 219.313 2 ↓

Analogs

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Popular Name: N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]-1H-pyrazol-4-amine N-[(4S)-4,5,6,7-tetrahydrobenzot…

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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) 2.10 4.1 -5.74 2 3 0 41 219.313 2 ↓

Analogs

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Popular Name: 1-ethyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrazol-4-amine 1-ethyl-N-[(4R)-4,5,6,7-tetrahyd…

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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) 2.54 6.42 -6.53 1 3 0 30 247.367 3 ↓
Lo Low (pH 4.5-6) 2.54 6.59 -31.22 2 3 1 31 248.375 3 ↓

Analogs

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Popular Name: 1-ethyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrazol-4-amine 1-ethyl-N-[(4S)-4,5,6,7-tetrahyd…

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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) 2.54 6.28 -6.33 1 3 0 30 247.367 3 ↓
Lo Low (pH 4.5-6) 2.54 6.45 -30.75 2 3 1 31 248.375 3 ↓

Analogs

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Popular Name: 3,5-dimethyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]-1H-pyrazol-4-amine 3,5-dimethyl-N-[(4R)-4,5,6,7-tet…

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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) 2.54 5.15 -6.26 2 3 0 41 247.367 2 ↓
Lo Low (pH 4.5-6) 2.54 5.81 -29.67 3 3 1 42 248.375 2 ↓

Analogs

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Popular Name: 3,5-dimethyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]-1H-pyrazol-4-amine 3,5-dimethyl-N-[(4S)-4,5,6,7-tet…

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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) 2.54 5.67 -5.09 2 3 0 41 247.367 2 ↓
Lo Low (pH 4.5-6) 2.54 5.98 -29.88 3 3 1 42 248.375 2 ↓

Analogs

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Popular Name: 2-[4-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]pyrazol-1-yl]acetamide 2-[4-[[(4R)-4,5,6,7-tetrahydrobe…

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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) 0.90 2.65 -16.19 3 5 0 73 276.365 4 ↓

Analogs

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Popular Name: 2-[4-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]pyrazol-1-yl]acetamide 2-[4-[[(4S)-4,5,6,7-tetrahydrobe…

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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) 0.90 2.52 -15.55 3 5 0 73 276.365 4 ↓

Analogs

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Popular Name: 1-(2-methoxyethyl)-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrazol-4-amine 1-(2-methoxyethyl)-N-[(4R)-4,5,6…

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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) 2.15 5.46 -6.32 1 4 0 39 277.393 5 ↓

Analogs

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Popular Name: 1-(2-methoxyethyl)-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrazol-4-amine 1-(2-methoxyethyl)-N-[(4S)-4,5,6…

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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) 2.15 5.32 -6.15 1 4 0 39 277.393 5 ↓

Analogs

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Popular Name: N-methyl-2-[4-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]pyrazol-1-yl]acetamide N-methyl-2-[4-[[(4R)-4,5,6,7-tet…

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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) 1.27 4.14 -16.24 2 5 0 59 290.392 4 ↓

Analogs

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Popular Name: N-methyl-2-[4-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]pyrazol-1-yl]acetamide N-methyl-2-[4-[[(4S)-4,5,6,7-tet…

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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) 1.27 4 -15.57 2 5 0 59 290.392 4 ↓

Analogs

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Popular Name: 1-isopropyl-3,5-dimethyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrazol-4-amine 1-isopropyl-3,5-dimethyl-N-[(4R)…

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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) 3.35 8.57 -5.52 1 3 0 30 289.448 3 ↓
Mid Mid (pH 6-8) 3.35 8.7 -26.7 2 3 1 31 290.456 3 ↓

Analogs

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Popular Name: 1-isopropyl-3,5-dimethyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrazol-4-amine 1-isopropyl-3,5-dimethyl-N-[(4S)…

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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) 3.35 7.65 -6.7 1 3 0 30 289.448 3 ↓
Mid Mid (pH 6-8) 3.35 7.79 -25.66 2 3 1 31 290.456 3 ↓

Parameters Provided:

ring.id = 210564
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 = 210564 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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