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Analogs

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Popular Name: (4S)-4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (4S)-4-(5-ethyl-2-methyl-1,2,4-t…

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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) 1.43 5.84 -44.96 2 4 1 47 249.363 2 ↓
Mid Mid (pH 6-8) 1.43 4.51 -9.18 1 4 0 43 248.355 2 ↓

Analogs

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Popular Name: (4R)-4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (4R)-4-(5-ethyl-2-methyl-1,2,4-t…

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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) 1.43 5.85 -44.31 2 4 1 47 249.363 2 ↓
Mid Mid (pH 6-8) 1.43 4.59 -7.78 1 4 0 43 248.355 2 ↓

Analogs

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Popular Name: (4S)-4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (4S)-4-(2-methyl-5-propyl-1,2,4-…

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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) 1.93 6.62 -44.85 2 4 1 47 263.39 3 ↓
Mid Mid (pH 6-8) 1.93 5.28 -8.98 1 4 0 43 262.382 3 ↓

Analogs

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Popular Name: (4R)-4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (4R)-4-(2-methyl-5-propyl-1,2,4-…

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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) 1.93 6.61 -44.23 2 4 1 47 263.39 3 ↓
Mid Mid (pH 6-8) 1.93 5.36 -7.53 1 4 0 43 262.382 3 ↓

Analogs

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Popular Name: (4S)-4-(5-isopropyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (4S)-4-(5-isopropyl-2-methyl-1,2…

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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) 1.91 6.29 -44.61 2 4 1 47 263.39 2 ↓
Mid Mid (pH 6-8) 1.91 4.96 -9.1 1 4 0 43 262.382 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(5-isopropyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (4R)-4-(5-isopropyl-2-methyl-1,2…

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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) 1.91 6.3 -44.07 2 4 1 47 263.39 2 ↓
Mid Mid (pH 6-8) 1.91 5.04 -7.7 1 4 0 43 262.382 2 ↓

Analogs

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Popular Name: (4S)-4-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (4S)-4-(5-tert-butyl-2-methyl-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) 2.58 6.85 -44.62 2 4 1 47 277.417 2 ↓
Mid Mid (pH 6-8) 2.58 5.51 -8.85 1 4 0 43 276.409 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (4R)-4-(5-tert-butyl-2-methyl-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) 2.58 6.85 -44.08 2 4 1 47 277.417 2 ↓
Mid Mid (pH 6-8) 2.58 5.59 -7.53 1 4 0 43 276.409 2 ↓

Analogs

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Popular Name: (4S)-4-(5-isobutyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (4S)-4-(5-isobutyl-2-methyl-1,2,…

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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 7.06 -44.51 2 4 1 47 277.417 3 ↓
Mid Mid (pH 6-8) 2.18 5.79 -8.55 1 4 0 43 276.409 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(5-isobutyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (4R)-4-(5-isobutyl-2-methyl-1,2,…

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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 7.07 -43.87 2 4 1 47 277.417 3 ↓
Mid Mid (pH 6-8) 2.18 5.87 -7.2 1 4 0 43 276.409 3 ↓

Parameters Provided:

ring.id = 143465
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 = 143465 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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