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Analogs

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Popular Name: 1-(3-methyl-2-pyridyl)-6,7-dihydro-5H-indol-4-one 1-(3-methyl-2-pyridyl)-6,7-dihyd…

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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 8.64 -11.43 0 3 0 35 226.279 1 ↓

Analogs

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Popular Name: 2,6,6-trimethyl-1-(3-methyl-2-pyridyl)-5,7-dihydroindol-4-one 2,6,6-trimethyl-1-(3-methyl-2-py…

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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) 3.50 9.89 -11.77 0 3 0 35 268.36 1 ↓

Analogs

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Popular Name: 6,6-dimethyl-1-(3-methyl-2-pyridyl)-5,7-dihydroindol-4-one 6,6-dimethyl-1-(3-methyl-2-pyrid…

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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) 3.28 9.57 -10.96 0 3 0 35 254.333 1 ↓

Analogs

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Popular Name: 2-methyl-1-(5-methyl-2-pyridyl)-6,7-dihydro-5H-indol-4-one 2-methyl-1-(5-methyl-2-pyridyl)-…

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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 9.26 -13.05 0 3 0 35 240.306 1 ↓

Analogs

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Popular Name: 1-(5-methyl-2-pyridyl)-6,7-dihydro-5H-indol-4-one 1-(5-methyl-2-pyridyl)-6,7-dihyd…

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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) 2.44 9.08 -10.86 0 3 0 35 226.279 1 ↓

Analogs

4228183
4228183
620381
620381

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Popular Name: 2,6,6-trimethyl-1-(5-methyl-2-pyridyl)-5,7-dihydroindol-4-one 2,6,6-trimethyl-1-(5-methyl-2-py…

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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 10.18 -12.38 0 3 0 35 268.36 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,6-dimethyl-1-(5-methyl-2-pyridyl)-5,7-dihydroindol-4-one 6,6-dimethyl-1-(5-methyl-2-pyrid…

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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 10.01 -10.42 0 3 0 35 254.333 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-(6-methyl-2-pyridyl)-6,7-dihydro-5H-indol-4-one 2-methyl-1-(6-methyl-2-pyridyl)-…

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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) 2.27 9.21 -13.49 0 3 0 35 240.306 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(6-methyl-2-pyridyl)-6,7-dihydro-5H-indol-4-one 1-(6-methyl-2-pyridyl)-6,7-dihyd…

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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) 2.04 9.03 -11.18 0 3 0 35 226.279 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,6-dimethyl-1-(6-methyl-2-pyridyl)-5,7-dihydroindol-4-one 6,6-dimethyl-1-(6-methyl-2-pyrid…

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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) 2.93 9.97 -10.72 0 3 0 35 254.333 1 ↓

Analogs

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Popular Name: 1-(2-pyridyl)-6,7-dihydro-5H-indol-4-one 1-(2-pyridyl)-6,7-dihydro-5H-ind…

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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) 1.99 8.44 -11.4 0 3 0 35 212.252 1 ↓

Analogs

4228183
4228183
619951
619951

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Popular Name: 2,6,6-trimethyl-1-(2-pyridyl)-5,7-dihydroindol-4-one 2,6,6-trimethyl-1-(2-pyridyl)-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) 3.10 9.43 -11.58 0 3 0 35 254.333 1 ↓

Analogs

4728914
4728914

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Popular Name: 6,6-dimethyl-1-(2-pyridyl)-5,7-dihydroindol-4-one 6,6-dimethyl-1-(2-pyridyl)-5,7-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) 2.88 9.37 -10.89 0 3 0 35 240.306 1 ↓

Analogs

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Popular Name: 1-(4-methyl-2-pyridyl)-6,7-dihydro-5H-indol-4-one 1-(4-methyl-2-pyridyl)-6,7-dihyd…

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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 9.11 -10.89 0 3 0 35 226.279 1 ↓

Analogs

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Popular Name: 2,6,6-trimethyl-1-(4-methyl-2-pyridyl)-5,7-dihydroindol-4-one 2,6,6-trimethyl-1-(4-methyl-2-py…

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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) 3.50 10.22 -12.36 0 3 0 35 268.36 1 ↓

Analogs

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Popular Name: 6,6-dimethyl-1-(4-methyl-2-pyridyl)-5,7-dihydroindol-4-one 6,6-dimethyl-1-(4-methyl-2-pyrid…

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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) 3.28 10.05 -10.43 0 3 0 35 254.333 1 ↓

Analogs

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Popular Name: 1-(5-bromo-2-pyridyl)-6,7-dihydro-5H-indol-4-one 1-(5-bromo-2-pyridyl)-6,7-dihydr…

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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) 2.97 9.04 -9.74 0 3 0 35 291.148 1 ↓

Analogs

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Popular Name: 1-(5-bromo-2-pyridyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one 1-(5-bromo-2-pyridyl)-2,6,6-trim…

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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) 4.08 10.02 -9.56 0 3 0 35 333.229 1 ↓

Analogs

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Popular Name: 1-(5-bromo-2-pyridyl)-6,6-dimethyl-5,7-dihydroindol-4-one 1-(5-bromo-2-pyridyl)-6,6-dimeth…

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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) 3.86 9.96 -9.33 0 3 0 35 319.202 1 ↓

Analogs

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Popular Name: 1-(5-chloro-2-pyridyl)-2-methyl-6,7-dihydro-5H-indol-4-one 1-(5-chloro-2-pyridyl)-2-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) 3.06 8.98 -10.23 0 3 0 35 260.724 1 ↓

Analogs

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Popular Name: 1-(5-chloro-2-pyridyl)-6,7-dihydro-5H-indol-4-one 1-(5-chloro-2-pyridyl)-6,7-dihyd…

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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) 2.84 8.93 -9.93 0 3 0 35 246.697 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-chloro-2-pyridyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one 1-(5-chloro-2-pyridyl)-2,6,6-tri…

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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) 3.95 9.91 -9.74 0 3 0 35 288.778 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-chloro-2-pyridyl)-6,6-dimethyl-5,7-dihydroindol-4-one 1-(5-chloro-2-pyridyl)-6,6-dimet…

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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) 3.73 9.86 -9.44 0 3 0 35 274.751 1 ↓

Parameters Provided:

ring.id = 569333
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 = 569333 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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