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Analogs

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

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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) 2.25 7.98 -40.2 2 2 1 29 293.481 3 ↓
Hi High (pH 8-9.5) 2.25 6.96 -6.23 1 2 0 25 292.473 3 ↓

Analogs

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Popular Name: (4R)-N-[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1S)-1-(2,4-dimethylthia…

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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) 2.25 7.39 -39.95 2 2 1 29 293.481 3 ↓
Hi High (pH 8-9.5) 2.25 6.9 -4.99 1 2 0 25 292.473 3 ↓

Analogs

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Popular Name: (4S)-N-[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1R)-1-(2,4-dimethylthia…

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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) 2.25 7.4 -40.19 2 2 1 29 293.481 3 ↓
Hi High (pH 8-9.5) 2.25 6.97 -6.55 1 2 0 25 292.473 3 ↓

Analogs

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

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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) 2.25 8.01 -40.11 2 2 1 29 293.481 3 ↓
Hi High (pH 8-9.5) 2.25 7.03 -5.39 1 2 0 25 292.473 3 ↓

Analogs

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Popular Name: (4R)-N-[(2-methylthiazol-5-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(2-methylthiazol-5-yl)me…

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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) 1.47 6.97 -43.49 2 2 1 29 265.427 3 ↓
Hi High (pH 8-9.5) 1.47 5.78 -5.79 1 2 0 25 264.419 3 ↓

Analogs

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Popular Name: (4S)-N-[(2-methylthiazol-5-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(2-methylthiazol-5-yl)me…

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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) 1.47 6.97 -43.51 2 2 1 29 265.427 3 ↓
Hi High (pH 8-9.5) 1.47 5.9 -5.81 1 2 0 25 264.419 3 ↓

Analogs

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Popular Name: 4-methoxy-N,N-dimethyl-5-[[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]methyl]thiazol-2-amine 4-methoxy-N,N-dimethyl-5-[[[(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) 2.16 6.4 -37.31 2 4 1 42 324.495 5 ↓

Analogs

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Popular Name: 4-methoxy-N,N-dimethyl-5-[[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]methyl]thiazol-2-amine 4-methoxy-N,N-dimethyl-5-[[[(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) 2.16 6.4 -37.76 2 4 1 42 324.495 5 ↓

Analogs

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Popular Name: N,N-diethyl-5-[[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]methyl]thiazol-2-amine N,N-diethyl-5-[[[(4R)-4,5,6,7-te…

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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) 2.73 9.88 -41.52 2 3 1 33 322.523 6 ↓

Analogs

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Popular Name: N,N-diethyl-5-[[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]methyl]thiazol-2-amine N,N-diethyl-5-[[[(4S)-4,5,6,7-te…

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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) 2.73 9.88 -41.42 2 3 1 33 322.523 6 ↓

Analogs

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

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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 7.25 -40.55 2 2 1 29 279.454 3 ↓
Hi High (pH 8-9.5) 2.54 6.22 -5.82 1 2 0 25 278.446 3 ↓

Analogs

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

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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 6.65 -40.35 2 2 1 29 279.454 3 ↓
Hi High (pH 8-9.5) 2.54 6.16 -4.62 1 2 0 25 278.446 3 ↓

Analogs

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

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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 6.66 -40.55 2 2 1 29 279.454 3 ↓
Hi High (pH 8-9.5) 2.54 6.24 -6.17 1 2 0 25 278.446 3 ↓

Analogs

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

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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 7.27 -40.45 2 2 1 29 279.454 3 ↓
Hi High (pH 8-9.5) 2.54 6.29 -5.04 1 2 0 25 278.446 3 ↓

Analogs

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Popular Name: (4R)-N-(thiazol-5-ylmethyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-(thiazol-5-ylmethyl)-4,5,…

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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) 1.75 6.25 -43.72 2 2 1 29 251.4 3 ↓
Hi High (pH 8-9.5) 1.75 5.18 -5.55 1 2 0 25 250.392 3 ↓

Analogs

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Popular Name: (4S)-N-(thiazol-5-ylmethyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-(thiazol-5-ylmethyl)-4,5,…

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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) 1.75 6.25 -43.76 2 2 1 29 251.4 3 ↓
Hi High (pH 8-9.5) 1.75 5.05 -5.57 1 2 0 25 250.392 3 ↓

Analogs

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Popular Name: (4R)-N-[(2-ethylthiazol-5-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(2-ethylthiazol-5-yl)met…

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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) 2.04 7.73 -43.57 2 2 1 29 279.454 4 ↓
Hi High (pH 8-9.5) 2.04 6.54 -5.62 1 2 0 25 278.446 4 ↓

Analogs

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Popular Name: (4S)-N-[(2-ethylthiazol-5-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(2-ethylthiazol-5-yl)met…

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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) 2.04 7.73 -43.54 2 2 1 29 279.454 4 ↓
Hi High (pH 8-9.5) 2.04 6.66 -5.55 1 2 0 25 278.446 4 ↓

Analogs

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Popular Name: (4R)-N-[(2-tert-butylthiazol-5-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(2-tert-butylthiazol-5-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) 3.19 8.83 -43.08 2 2 1 29 307.508 4 ↓
Hi High (pH 8-9.5) 3.19 7.64 -5.42 1 2 0 25 306.5 4 ↓

Analogs

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Popular Name: (4S)-N-[(2-tert-butylthiazol-5-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(2-tert-butylthiazol-5-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) 3.19 8.83 -43.01 2 2 1 29 307.508 4 ↓
Hi High (pH 8-9.5) 3.19 7.76 -5.33 1 2 0 25 306.5 4 ↓

Parameters Provided:

ring.id = 210761
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 = 210761 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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