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Analogs

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Popular Name: 7-Chloro-6-iodo-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine 7-Chloro-6-iodo-2,3-dihydro-[1,4…

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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) 3.00 1.92 -6.19 0 3 0 31 297.479 0 ↓

Analogs

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Popular Name: 8-Chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine 8-Chloro-2,3-dihydro-[1,4]dioxin…

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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) 1.57 1.09 -7.63 0 3 0 31 171.583 0 ↓

Analogs

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Popular Name: 6-iodo-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine 6-iodo-2,3-dihydro-[1,4]dioxino[…

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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) 2.39 1.5 -7.36 0 3 0 31 263.034 0 ↓

Analogs

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Popular Name: 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-8-carbonitrile 2,3-dihydro-[1,4]dioxino[2,3-b]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) 0.65 0.98 -9.61 0 4 0 55 162.148 0 ↓

Analogs

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Popular Name: 8-iodo-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine 8-iodo-2,3-dihydro-[1,4]dioxino[…

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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) 1.98 1.7 -7.08 0 3 0 31 263.034 0 ↓

Analogs

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Popular Name: 2,3-Dihydro-[1,4]dioxino[2,3-b]pyridine-8-carboxylic acid 2,3-Dihydro-[1,4]dioxino[2,3-b]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) 0.89 1.74 -50.2 0 5 -1 71 180.139 1 ↓

Analogs

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Popular Name: 7-iodo-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine 7-iodo-2,3-dihydro-[1,4]dioxino[…

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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) 2.19 1.65 -6.02 0 3 0 31 263.034 0 ↓

Analogs

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Popular Name: 7-Iodo-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-ol 7-Iodo-2,3-dihydro-[1,4]dioxino[…

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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 0.35 -40.83 0 4 -1 54 278.025 0 ↓
Mid Mid (pH 6-8) 1.45 2.59 -16.88 1 4 0 51 279.033 0 ↓

Analogs

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Popular Name: 2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-7-ol 2,3-Dihydro-[1,4]dioxino[2,3-b]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) 0.89 -2.3 -8.65 1 4 0 52 153.137 0 ↓
Hi High (pH 8-9.5) 0.89 -1.54 -43.25 0 4 -1 54 152.129 0 ↓

Analogs

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Popular Name: 2,3-Dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxylic acid 2,3-Dihydro-[1,4]dioxino[2,3-b]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) 0.52 1.14 -46.34 0 5 -1 71 180.139 1 ↓

Analogs

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Popular Name: 2,3-Dihydro-[1,4]dioxino[2,3-b]pyridine-7-carbonitrile 2,3-Dihydro-[1,4]dioxino[2,3-b]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) 0.70 0.97 -7.79 0 4 0 55 162.148 0 ↓

Analogs

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Popular Name: (2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-methanol (2,3-Dihydro-[1,4]dioxino[2,3-b]…

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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) 0.28 -2.13 -10.13 1 4 0 52 167.164 1 ↓

Analogs

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Popular Name: 2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-7-amine 2,3-Dihydro-[1,4]dioxino[2,3-b]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) 0.59 -1.56 -8.98 2 4 0 57 152.153 0 ↓

Analogs

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Popular Name: 7-(Dimethoxymethyl)-2,3-dihydro-[1,4]dioxino-[2,3-b]pyridine 7-(Dimethoxymethyl)-2,3-dihydro-…

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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) 0.86 0.22 -9.43 0 5 0 50 211.217 3 ↓

Analogs

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Popular Name: tert-Butyl (2,3-dihydro-[1,4]dioxino-[2,3-b]pyridin-7-yl)carbamate tert-Butyl (2,3-dihydro-[1,4]dio…

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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) 2.00 0.79 -10.28 1 6 0 70 252.27 3 ↓

Analogs

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Popular Name: (E)-Methyl 3-(2,3-dihydro-[1,4]dioxino-[2,3-b]pyridin-7-yl)acrylate (E)-Methyl 3-(2,3-dihydro-[1,4]d…

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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) 1.35 2.45 -10.23 0 5 0 58 221.212 3 ↓

Analogs

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Popular Name: 7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine 7-chloro-2,3-dihydro-[1,4]dioxin…

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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) 1.79 1.06 -6.23 0 3 0 31 171.583 0 ↓

Analogs

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Popular Name: Methyl 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxylate Methyl 2,3-dihydro-[1,4]dioxino[…

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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) 0.78 1.21 -8.64 0 5 0 58 195.174 2 ↓

Analogs

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Popular Name: 7-bromo-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-8-carbaldehyde 7-bromo-2,3-dihydro-[1,4]dioxino…

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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 0.98 -8.39 0 4 0 48 244.044 1 ↓

Analogs

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Popular Name: 7-Bromo-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-8-carboxylic acid 7-Bromo-2,3-dihydro-[1,4]dioxino…

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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) 1.42 2.23 -46.86 0 5 -1 71 259.035 1 ↓

Analogs

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Popular Name: (2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)methanol (2,3-Dihydro-[1,4]dioxino[2,3-b]…

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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) 0.23 -1.9 -9.27 1 4 0 52 167.164 1 ↓

Parameters Provided:

ring.id = 462697
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 = 462697 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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