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Analogs

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Popular Name: 7-[(S)-amino-(5-chloro-2-thienyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(S)-amino-(5-chloro-2-thienyl…

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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) 3.54 6.1 -55.76 4 3 1 57 307.826 2 ↓
Mid Mid (pH 6-8) 3.54 5.79 -8.34 3 3 0 55 306.818 2 ↓

Analogs

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Popular Name: 7-[(R)-amino-(5-chloro-2-thienyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(R)-amino-(5-chloro-2-thienyl…

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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) 3.54 6.11 -56 4 3 1 57 307.826 2 ↓
Mid Mid (pH 6-8) 3.54 5.79 -8.13 3 3 0 55 306.818 2 ↓

Analogs

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Popular Name: 7-[(S)-(5-chloro-2-thienyl)-(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(S)-(5-chloro-2-thienyl)-(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) 3.91 7.85 -49.43 3 3 1 46 321.853 3 ↓
Hi High (pH 8-9.5) 3.91 6.65 -7.81 2 3 0 41 320.845 3 ↓

Analogs

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Popular Name: 7-[(R)-(5-chloro-2-thienyl)-(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(R)-(5-chloro-2-thienyl)-(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) 3.91 7.93 -49.94 3 3 1 46 321.853 3 ↓
Hi High (pH 8-9.5) 3.91 6.7 -7.64 2 3 0 41 320.845 3 ↓

Analogs

35503256
35503256

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Popular Name: 7-[(R)-methylamino-(3-methyl-2-thienyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(R)-methylamino-(3-methyl-2-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) 3.49 7.87 -45.49 3 3 1 46 301.435 3 ↓
Hi High (pH 8-9.5) 3.49 6.57 -8.04 2 3 0 41 300.427 3 ↓

Analogs

35503253
35503253

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Popular Name: 7-[(S)-methylamino-(3-methyl-2-thienyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(S)-methylamino-(3-methyl-2-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) 3.49 7.73 -45.18 3 3 1 46 301.435 3 ↓
Hi High (pH 8-9.5) 3.49 6.6 -7.57 2 3 0 41 300.427 3 ↓

Analogs

35503261
35503261

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Popular Name: 7-[(R)-methylamino-(5-methyl-2-thienyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(R)-methylamino-(5-methyl-2-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) 3.33 8.15 -45.71 3 3 1 46 301.435 3 ↓
Hi High (pH 8-9.5) 3.33 6.86 -7.97 2 3 0 41 300.427 3 ↓

Analogs

35503258
35503258

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Popular Name: 7-[(S)-methylamino-(5-methyl-2-thienyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(S)-methylamino-(5-methyl-2-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) 3.33 8.05 -45.26 3 3 1 46 301.435 3 ↓
Hi High (pH 8-9.5) 3.33 6.91 -7.54 2 3 0 41 300.427 3 ↓

Analogs

35503278
35503278

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Popular Name: 7-[(S)-(5-bromo-2-thienyl)-(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(S)-(5-bromo-2-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) 4.04 7.95 -49.51 3 3 1 46 366.304 3 ↓
Hi High (pH 8-9.5) 4.04 6.75 -7.83 2 3 0 41 365.296 3 ↓

Analogs

35503275
35503275

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Popular Name: 7-[(R)-(5-bromo-2-thienyl)-(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(R)-(5-bromo-2-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) 4.04 8.04 -50.02 3 3 1 46 366.304 3 ↓
Hi High (pH 8-9.5) 4.04 6.81 -7.66 2 3 0 41 365.296 3 ↓

Analogs

35503288
35503288

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Popular Name: 7-[(S)-methylamino(2-thienyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(S)-methylamino(2-thienyl)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) 3.11 7.22 -45.49 3 3 1 46 287.408 3 ↓
Hi High (pH 8-9.5) 3.11 6.02 -7.56 2 3 0 41 286.4 3 ↓

Analogs

35503285
35503285

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Popular Name: 7-[(R)-methylamino(2-thienyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(R)-methylamino(2-thienyl)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) 3.11 7.31 -45.95 3 3 1 46 287.408 3 ↓
Hi High (pH 8-9.5) 3.11 6.08 -7.41 2 3 0 41 286.4 3 ↓

Parameters Provided:

ring.id = 18197
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 = 18197 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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