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Analogs

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Popular Name: 4-amino-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thiophene-2-sulfonamide 4-amino-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) 2.36 2.29 -10.18 3 4 0 72 314.457 3 ↓

Analogs

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Popular Name: 4-amino-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thiophene-2-sulfonamide 4-amino-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) 2.36 2.17 -8.77 3 4 0 72 314.457 3 ↓

Analogs

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Popular Name: 5-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]sulfamoyl]thiophene-3-carboxylic 5-[[(4R)-4,5,6,7-tetrahydrobenzo…

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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) 2.44 5 -51.44 1 5 -1 86 342.443 4 ↓

Analogs

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Popular Name: 5-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]sulfamoyl]thiophene-3-carboxylic 5-[[(4S)-4,5,6,7-tetrahydrobenzo…

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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) 2.44 4.89 -51.93 1 5 -1 86 342.443 4 ↓

Analogs

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Popular Name: 5-(aminomethyl)-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thiophene-2-sulfonamide 5-(aminomethyl)-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) 2.37 2.68 -58.26 4 4 1 74 329.492 4 ↓
Hi High (pH 8-9.5) 2.37 2.28 -10.43 3 4 0 72 328.484 4 ↓

Analogs

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Popular Name: 5-(aminomethyl)-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thiophene-2-sulfonamide 5-(aminomethyl)-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) 2.37 2.54 -56.31 4 4 1 74 329.492 4 ↓
Hi High (pH 8-9.5) 2.37 2.15 -9.12 3 4 0 72 328.484 4 ↓

Analogs

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Popular Name: 5-(2-aminoethyl)-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thiophene-2-sulfonamide 5-(2-aminoethyl)-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) 2.17 3.45 -58.57 4 4 1 74 343.519 5 ↓

Analogs

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Popular Name: 5-(2-aminoethyl)-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thiophene-2-sulfonamide 5-(2-aminoethyl)-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) 2.17 3.31 -56.8 4 4 1 74 343.519 5 ↓

Analogs

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Popular Name: 5-bromo-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thiophene-2-sulfonamide 5-bromo-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) 3.88 5.18 -8.78 1 3 0 46 378.338 3 ↓

Analogs

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Popular Name: 5-bromo-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thiophene-2-sulfonamide 5-bromo-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) 3.88 5.05 -7.55 1 3 0 46 378.338 3 ↓

Analogs

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Popular Name: 3-bromo-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thiophene-2-sulfonamide 3-bromo-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) 3.68 4.93 -12.9 1 3 0 46 378.338 3 ↓

Analogs

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Popular Name: 3-bromo-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thiophene-2-sulfonamide 3-bromo-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) 3.68 4.82 -10.36 1 3 0 46 378.338 3 ↓

Parameters Provided:

ring.id = 211774
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 = 211774 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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