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Analogs

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Popular Name: (4R)-1,1-dioxo-N-(2-thienylmethyl)-3,4-dihydro-2H-thiochromen-4-amine (4R)-1,1-dioxo-N-(2-thienylmethy…

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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 4.29 -13.61 1 3 0 46 293.413 3 ↓
Mid Mid (pH 6-8) 1.47 5.08 -63.09 2 3 1 51 294.421 3 ↓

Analogs

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Popular Name: (4S)-1,1-dioxo-N-(2-thienylmethyl)-3,4-dihydro-2H-thiochromen-4-amine (4S)-1,1-dioxo-N-(2-thienylmethy…

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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 3.9 -13.02 1 3 0 46 293.413 3 ↓
Mid Mid (pH 6-8) 1.47 5.08 -62.31 2 3 1 51 294.421 3 ↓

Analogs

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Popular Name: (4R)-1,1-dioxo-N-[(1S)-1-(2-thienyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine (4R)-1,1-dioxo-N-[(1S)-1-(2-thie…

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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) 2.03 4.41 -12.64 1 3 0 46 307.44 3 ↓
Mid Mid (pH 6-8) 2.03 4.96 -56.8 2 3 1 51 308.448 3 ↓

Analogs

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Popular Name: (4R)-1,1-dioxo-N-[(1R)-1-(2-thienyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine (4R)-1,1-dioxo-N-[(1R)-1-(2-thie…

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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) 2.03 4.51 -14.14 1 3 0 46 307.44 3 ↓
Mid Mid (pH 6-8) 2.03 5.62 -56.96 2 3 1 51 308.448 3 ↓

Analogs

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Popular Name: (4S)-1,1-dioxo-N-[(1S)-1-(2-thienyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine (4S)-1,1-dioxo-N-[(1S)-1-(2-thie…

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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) 2.03 4.89 -13.16 1 3 0 46 307.44 3 ↓
Mid Mid (pH 6-8) 2.03 5.62 -56.99 2 3 1 51 308.448 3 ↓

Analogs

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Popular Name: (4S)-1,1-dioxo-N-[(1R)-1-(2-thienyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine (4S)-1,1-dioxo-N-[(1R)-1-(2-thie…

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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) 2.03 4.93 -13.95 1 3 0 46 307.44 3 ↓
Mid Mid (pH 6-8) 2.03 4.99 -56.73 2 3 1 51 308.448 3 ↓

Analogs

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Popular Name: (4R)-N-[(1S)-1-(5-chloro-2-thienyl)ethyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4R)-N-[(1S)-1-(5-chloro-2-thien…

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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) 2.83 5.03 -13.24 1 3 0 46 341.885 3 ↓
Mid Mid (pH 6-8) 2.83 5.58 -60.39 2 3 1 51 342.893 3 ↓

Analogs

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Popular Name: (4R)-N-[(1R)-1-(5-chloro-2-thienyl)ethyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4R)-N-[(1R)-1-(5-chloro-2-thien…

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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) 2.83 5.13 -14.96 1 3 0 46 341.885 3 ↓
Mid Mid (pH 6-8) 2.83 6.24 -61.45 2 3 1 51 342.893 3 ↓

Analogs

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Popular Name: (4S)-N-[(1S)-1-(5-chloro-2-thienyl)ethyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4S)-N-[(1S)-1-(5-chloro-2-thien…

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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) 2.83 5.52 -14.06 1 3 0 46 341.885 3 ↓
Mid Mid (pH 6-8) 2.83 6.24 -61.46 2 3 1 51 342.893 3 ↓

Analogs

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Popular Name: (4S)-N-[(1R)-1-(5-chloro-2-thienyl)ethyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4S)-N-[(1R)-1-(5-chloro-2-thien…

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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) 2.83 5.56 -14.87 1 3 0 46 341.885 3 ↓
Mid Mid (pH 6-8) 2.83 5.61 -60.34 2 3 1 51 342.893 3 ↓

Analogs

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Popular Name: (4R)-1,1-dioxo-N-[(1S)-1-(2-thienyl)propyl]-3,4-dihydro-2H-thiochromen-4-amine (4R)-1,1-dioxo-N-[(1S)-1-(2-thie…

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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) 2.53 4.85 -12.25 1 3 0 46 321.467 4 ↓
Mid Mid (pH 6-8) 2.53 6.44 -51.7 2 3 1 51 322.475 4 ↓

Analogs

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Popular Name: (4R)-1,1-dioxo-N-[(1R)-1-(2-thienyl)propyl]-3,4-dihydro-2H-thiochromen-4-amine (4R)-1,1-dioxo-N-[(1R)-1-(2-thie…

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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) 2.53 5.19 -13.86 1 3 0 46 321.467 4 ↓
Mid Mid (pH 6-8) 2.53 6.22 -54.27 2 3 1 51 322.475 4 ↓

Analogs

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Popular Name: (4S)-1,1-dioxo-N-[(1S)-1-(2-thienyl)propyl]-3,4-dihydro-2H-thiochromen-4-amine (4S)-1,1-dioxo-N-[(1S)-1-(2-thie…

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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) 2.53 5.62 -12.61 1 3 0 46 321.467 4 ↓
Mid Mid (pH 6-8) 2.53 6.18 -54.16 2 3 1 51 322.475 4 ↓

Analogs

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Popular Name: (4S)-1,1-dioxo-N-[(1R)-1-(2-thienyl)propyl]-3,4-dihydro-2H-thiochromen-4-amine (4S)-1,1-dioxo-N-[(1R)-1-(2-thie…

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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) 2.53 4.95 -14.24 1 3 0 46 321.467 4 ↓
Mid Mid (pH 6-8) 2.53 6.44 -51.8 2 3 1 51 322.475 4 ↓

Parameters Provided:

ring.id = 550484
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 = 550484 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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