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Analogs

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Popular Name: N-(3,4-dimethoxyphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide N-(3,4-dimethoxyphenyl)-2-oxo-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) 2.29 3.73 -15.35 2 7 0 94 376.434 5 ↓
Hi High (pH 8-9.5) 2.29 3.8 -43.72 1 7 -1 96 375.426 5 ↓

Analogs

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Popular Name: N-(3-methoxyphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide N-(3-methoxyphenyl)-2-oxo-1,3,4,…

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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) 2.67 3.96 -13.44 2 6 0 85 346.408 4 ↓
Hi High (pH 8-9.5) 2.67 4.03 -43.92 1 6 -1 87 345.4 4 ↓

Analogs

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Popular Name: N-(4-methoxyphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide N-(4-methoxyphenyl)-2-oxo-1,3,4,…

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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) 2.70 3.8 -13.51 2 6 0 85 346.408 4 ↓
Hi High (pH 8-9.5) 2.70 3.87 -42.76 1 6 -1 87 345.4 4 ↓

Analogs

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Popular Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide N-(5-chloro-2,4-dimethoxy-phenyl…

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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) 3.29 3.81 -14.7 2 7 0 94 410.879 5 ↓
Hi High (pH 8-9.5) 3.29 3.85 -44.87 1 7 -1 96 409.871 5 ↓

Analogs

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Popular Name: N-(2,3-dimethylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide N-(2,3-dimethylphenyl)-2-oxo-1,3…

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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) 3.44 5.99 -12.76 2 5 0 75 344.436 3 ↓
Hi High (pH 8-9.5) 3.44 6.08 -42.48 1 5 -1 77 343.428 3 ↓

Analogs

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Popular Name: N-(2-ethylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide N-(2-ethylphenyl)-2-oxo-1,3,4,5-…

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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) 3.51 6.07 -12.39 2 5 0 75 344.436 4 ↓
Hi High (pH 8-9.5) 3.51 6.14 -41.58 1 5 -1 77 343.428 4 ↓

Analogs

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Popular Name: N-(4-ethylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide N-(4-ethylphenyl)-2-oxo-1,3,4,5-…

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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) 3.55 5.92 -12.55 2 5 0 75 344.436 4 ↓
Hi High (pH 8-9.5) 3.55 5.99 -44 1 5 -1 77 343.428 4 ↓

Analogs

20943098
20943098

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Popular Name: N-(o-tolyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide N-(o-tolyl)-2-oxo-1,3,4,5-tetrah…

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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) 3.04 5.32 -12.73 2 5 0 75 330.409 3 ↓
Hi High (pH 8-9.5) 3.04 5.36 -41.88 1 5 -1 77 329.401 3 ↓

Analogs

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Popular Name: N-(2,5-dimethylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide N-(2,5-dimethylphenyl)-2-oxo-1,3…

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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) 3.46 5.98 -12.67 2 5 0 75 344.436 3 ↓
Hi High (pH 8-9.5) 3.46 6.06 -42.51 1 5 -1 77 343.428 3 ↓

Analogs

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Popular Name: N-ethyl-N-(m-tolyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide N-ethyl-N-(m-tolyl)-2-oxo-1,3,4,…

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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) 3.68 7.24 -12.79 1 5 0 66 358.463 4 ↓

Analogs

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Popular Name: N-(3,4-dimethylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide N-(3,4-dimethylphenyl)-2-oxo-1,3…

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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) 3.46 5.81 -12.01 2 5 0 75 344.436 3 ↓
Hi High (pH 8-9.5) 3.46 5.82 -48.45 1 5 -1 77 343.428 3 ↓

Analogs

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Popular Name: N-(3-methylsulfanylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide N-(3-methylsulfanylphenyl)-2-oxo…

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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 5.67 -12.99 2 5 0 75 362.476 4 ↓
Hi High (pH 8-9.5) 3.05 5.74 -43.55 1 5 -1 77 361.468 4 ↓

Analogs

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Popular Name: N-(2-methoxy-5-methyl-phenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide N-(2-methoxy-5-methyl-phenyl)-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) 3.07 4.6 -13.18 2 6 0 85 360.435 4 ↓
Hi High (pH 8-9.5) 3.07 4.63 -46.99 1 6 -1 87 359.427 4 ↓

Analogs

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Popular Name: N-(4-ethoxyphenyl)-N-methyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide N-(4-ethoxyphenyl)-N-methyl-2-ox…

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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) 3.32 6.18 -13.8 1 6 0 76 374.462 5 ↓

Analogs

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Popular Name: N-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide N-[4-methyl-3-(trifluoromethyl)p…

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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) 3.91 6.11 -12.08 2 5 0 75 398.406 4 ↓
Mid Mid (pH 6-8) 3.91 6.11 -41.48 1 5 -1 77 397.398 4 ↓

Analogs

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Popular Name: N-[(2S)-2-hydroxypropyl]-2-oxo-N-phenyl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide N-[(2S)-2-hydroxypropyl]-2-oxo-N…

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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) 2.62 5.05 -15.5 2 6 0 87 374.462 5 ↓

Analogs

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Popular Name: N-[(2R)-2-hydroxypropyl]-2-oxo-N-phenyl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide N-[(2R)-2-hydroxypropyl]-2-oxo-N…

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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) 2.62 4.08 -13.62 2 6 0 87 374.462 5 ↓

Parameters Provided:

ring.id = 86993
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 = 86993 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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