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Analogs

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Popular Name: 6-[(S)-amino(3-thienyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-amino(3-thienyl)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) 1.73 6.14 -57.23 3 3 1 48 273.381 2 ↓
Hi High (pH 8-9.5) 1.73 5.81 -8.66 2 3 0 46 272.373 2 ↓

Analogs

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Popular Name: 6-[(R)-amino(3-thienyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-amino(3-thienyl)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) 1.73 6.14 -57.09 3 3 1 48 273.381 2 ↓
Hi High (pH 8-9.5) 1.73 5.81 -8.44 2 3 0 46 272.373 2 ↓

Analogs

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Popular Name: 1-methyl-6-[(S)-methylamino(3-thienyl)methyl]-3,4-dihydroquinolin-2-one 1-methyl-6-[(S)-methylamino(3-th…

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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 7.89 -51.15 2 3 1 37 287.408 3 ↓
Hi High (pH 8-9.5) 2.10 6.8 -7.77 1 3 0 32 286.4 3 ↓

Analogs

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Popular Name: 1-methyl-6-[(R)-methylamino(3-thienyl)methyl]-3,4-dihydroquinolin-2-one 1-methyl-6-[(R)-methylamino(3-th…

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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 7.91 -51.04 2 3 1 37 287.408 3 ↓
Hi High (pH 8-9.5) 2.10 6.83 -7.56 1 3 0 32 286.4 3 ↓

Analogs

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Popular Name: 6-[(S)-ethylamino(3-thienyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-ethylamino(3-thienyl)meth…

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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) 2.48 8.74 -49.3 2 3 1 37 301.435 4 ↓
Hi High (pH 8-9.5) 2.48 7.78 -7.56 1 3 0 32 300.427 4 ↓

Analogs

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Popular Name: 6-[(R)-ethylamino(3-thienyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-ethylamino(3-thienyl)meth…

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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) 2.48 8.74 -49.1 2 3 1 37 301.435 4 ↓
Hi High (pH 8-9.5) 2.48 7.66 -8.09 1 3 0 32 300.427 4 ↓

Analogs

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Popular Name: 6-[(S)-hydroxy(3-thienyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-hydroxy(3-thienyl)methyl]…

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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) 1.68 5.77 -9.83 1 3 0 41 273.357 2 ↓

Analogs

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Popular Name: 6-[(R)-hydroxy(3-thienyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-hydroxy(3-thienyl)methyl]…

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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) 1.68 5.78 -9.8 1 3 0 41 273.357 2 ↓

Analogs

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Popular Name: 6-[(S)-chloro(3-thienyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-chloro(3-thienyl)methyl]-…

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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) 2.92 9.03 -8.49 0 2 0 20 291.803 2 ↓

Analogs

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Popular Name: 6-[(R)-chloro(3-thienyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-chloro(3-thienyl)methyl]-…

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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) 2.92 9.03 -8.51 0 2 0 20 291.803 2 ↓

Analogs

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Popular Name: 6-[(S)-bromo(3-thienyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-bromo(3-thienyl)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) 3.05 9.11 -8.25 0 2 0 20 336.254 2 ↓

Analogs

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Popular Name: 6-[(R)-bromo(3-thienyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-bromo(3-thienyl)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) 3.05 9.11 -8.28 0 2 0 20 336.254 2 ↓

Parameters Provided:

ring.id = 275863
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 = 275863 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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