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Analogs

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Popular Name: [(3S)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-[(2S)-1,4-dioxan-2-yl]methanone [(3S)-3-amino-3,4-dihydro-2H-qui…

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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) -0.15 3.19 -66.27 3 5 1 66 263.317 1 ↓
Hi High (pH 8-9.5) -0.15 2.87 -10.63 2 5 0 65 262.309 1 ↓

Analogs

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Popular Name: [(3R)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-[(2S)-1,4-dioxan-2-yl]methanone [(3R)-3-amino-3,4-dihydro-2H-qui…

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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) -0.15 3.09 -66.74 3 5 1 66 263.317 1 ↓
Hi High (pH 8-9.5) -0.15 2.76 -10.45 2 5 0 65 262.309 1 ↓

Analogs

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Popular Name: [(3S)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-[(2R)-1,4-dioxan-2-yl]methanone [(3S)-3-amino-3,4-dihydro-2H-qui…

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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) -0.15 3.2 -66.47 3 5 1 66 263.317 1 ↓
Hi High (pH 8-9.5) -0.15 2.87 -10.63 2 5 0 65 262.309 1 ↓

Analogs

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Popular Name: [(3R)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-[(2R)-1,4-dioxan-2-yl]methanone [(3R)-3-amino-3,4-dihydro-2H-qui…

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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) -0.15 3.06 -66.46 3 5 1 66 263.317 1 ↓
Hi High (pH 8-9.5) -0.15 2.73 -10.63 2 5 0 65 262.309 1 ↓

Analogs

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Popular Name: [(2S)-1,4-dioxan-2-yl]-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone [(2S)-1,4-dioxan-2-yl]-(7-fluoro…

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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) 1.64 6.04 -14.41 0 4 0 39 265.284 1 ↓

Analogs

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Popular Name: [(2R)-1,4-dioxan-2-yl]-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone [(2R)-1,4-dioxan-2-yl]-(7-fluoro…

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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) 1.64 6.03 -14.3 0 4 0 39 265.284 1 ↓

Analogs

41790030
41790030

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Popular Name: [(2S)-1,4-dioxan-2-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone [(2S)-1,4-dioxan-2-yl]-(8-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) 1.90 6.1 -9.73 0 4 0 39 261.321 1 ↓

Analogs

41790027
41790027

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Popular Name: [(2R)-1,4-dioxan-2-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone [(2R)-1,4-dioxan-2-yl]-(8-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) 1.90 5.92 -9.72 0 4 0 39 261.321 1 ↓

Analogs

41826224
41826224

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Popular Name: [(2S)-1,4-dioxan-2-yl]-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone [(2S)-1,4-dioxan-2-yl]-(8-methox…

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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) 1.51 6.52 -12.16 0 5 0 48 277.32 2 ↓

Analogs

41826222
41826222

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Popular Name: [(2R)-1,4-dioxan-2-yl]-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone [(2R)-1,4-dioxan-2-yl]-(8-methox…

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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) 1.51 6.44 -12.25 0 5 0 48 277.32 2 ↓

Analogs

41830382
41830382

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Popular Name: (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[(2S)-1,4-dioxan-2-yl]methanone (6-chloro-3,4-dihydro-2H-quinoli…

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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) 2.15 6.48 -11.19 0 4 0 39 281.739 1 ↓

Analogs

41830381
41830381

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Popular Name: (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-[(2R)-1,4-dioxan-2-yl]methanone (6-chloro-3,4-dihydro-2H-quinoli…

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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) 2.15 6.48 -11.06 0 4 0 39 281.739 1 ↓

Analogs

41837777
41837777

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Popular Name: [(2S)-1,4-dioxan-2-yl]-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone [(2S)-1,4-dioxan-2-yl]-(6-fluoro…

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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) 1.64 6.04 -11.69 0 4 0 39 265.284 1 ↓

Analogs

41837774
41837774

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Popular Name: [(2R)-1,4-dioxan-2-yl]-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone [(2R)-1,4-dioxan-2-yl]-(6-fluoro…

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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) 1.64 6.04 -11.57 0 4 0 39 265.284 1 ↓

Analogs

41866739
41866739

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Popular Name: (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[(2S)-1,4-dioxan-2-yl]methanone (5,7-difluoro-3,4-dihydro-2H-qui…

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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 6.05 -11.43 0 4 0 39 283.274 1 ↓

Analogs

41866737
41866737

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Popular Name: (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[(2R)-1,4-dioxan-2-yl]methanone (5,7-difluoro-3,4-dihydro-2H-qui…

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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 6.06 -11.31 0 4 0 39 283.274 1 ↓

Analogs

41968628
41968628
41968629
41968629
41968630
41968630

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Popular Name: [(2S)-1,4-dioxan-2-yl]-[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone [(2S)-1,4-dioxan-2-yl]-[(4R)-4-m…

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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) 1.58 6.32 -11.36 0 4 0 39 261.321 1 ↓

Analogs

41968629
41968629
41968630
41968630
41968627
41968627

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Popular Name: [(2S)-1,4-dioxan-2-yl]-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone [(2S)-1,4-dioxan-2-yl]-[(4S)-4-m…

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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) 1.58 6.41 -11.72 0 4 0 39 261.321 1 ↓

Analogs

41968630
41968630
41968627
41968627
41968628
41968628

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Popular Name: [(2R)-1,4-dioxan-2-yl]-[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone [(2R)-1,4-dioxan-2-yl]-[(4R)-4-m…

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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) 1.58 6.29 -11.51 0 4 0 39 261.321 1 ↓

Analogs

41968627
41968627
41968628
41968628
41968629
41968629

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Popular Name: [(2R)-1,4-dioxan-2-yl]-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone [(2R)-1,4-dioxan-2-yl]-[(4S)-4-m…

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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) 1.58 6.42 -11.48 0 4 0 39 261.321 1 ↓

Parameters Provided:

ring.id = 527799
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 = 527799 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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