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Analogs

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Popular Name: 6-[(4-methylcyclohexyl)amino]-1,4-dihydroquinoxaline-2,3-dione 6-[(4-methylcyclohexyl)amino]-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) 1.91 4.58 -11.08 3 5 0 78 273.336 2 ↓

Analogs

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Popular Name: 6-[(4-ethylcyclohexyl)amino]-1,4-dihydroquinoxaline-2,3-dione 6-[(4-ethylcyclohexyl)amino]-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) 2.60 4.95 -11 3 5 0 78 287.363 3 ↓

Analogs

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Popular Name: 6-[[(1S,2R)-2-methylcyclohexyl]amino]-1,4-dihydroquinoxaline-2,3-dione 6-[[(1S,2R)-2-methylcyclohexyl]a…

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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) 2.38 4.76 -10.95 3 5 0 78 273.336 2 ↓

Analogs

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Popular Name: 6-[[(1S,2S)-2-methylcyclohexyl]amino]-1,4-dihydroquinoxaline-2,3-dione 6-[[(1S,2S)-2-methylcyclohexyl]a…

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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) 2.38 4.46 -10.83 3 5 0 78 273.336 2 ↓

Analogs

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Popular Name: 6-[[(1R,2R)-2-methylcyclohexyl]amino]-1,4-dihydroquinoxaline-2,3-dione 6-[[(1R,2R)-2-methylcyclohexyl]a…

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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) 2.38 4.45 -10.87 3 5 0 78 273.336 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1R,2S)-2-methylcyclohexyl]amino]-1,4-dihydroquinoxaline-2,3-dione 6-[[(1R,2S)-2-methylcyclohexyl]a…

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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) 2.38 4.76 -10.96 3 5 0 78 273.336 2 ↓

Analogs

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Popular Name: 6-[[(1S,3R)-3-methylcyclohexyl]amino]-1,4-dihydroquinoxaline-2,3-dione 6-[[(1S,3R)-3-methylcyclohexyl]a…

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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 4.3 -10.95 3 5 0 78 273.336 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1S,3S)-3-methylcyclohexyl]amino]-1,4-dihydroquinoxaline-2,3-dione 6-[[(1S,3S)-3-methylcyclohexyl]a…

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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 4.59 -11.05 3 5 0 78 273.336 2 ↓

Analogs

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Popular Name: 6-[[(1R,3R)-3-methylcyclohexyl]amino]-1,4-dihydroquinoxaline-2,3-dione 6-[[(1R,3R)-3-methylcyclohexyl]a…

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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 4.59 -11.05 3 5 0 78 273.336 2 ↓

Analogs

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Popular Name: 6-[[(1R,3S)-3-methylcyclohexyl]amino]-1,4-dihydroquinoxaline-2,3-dione 6-[[(1R,3S)-3-methylcyclohexyl]a…

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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 4.3 -10.95 3 5 0 78 273.336 2 ↓

Analogs

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Popular Name: 6-[[(2S,6R)-2,6-dimethylcyclohexyl]amino]-1,4-dihydroquinoxaline-2,3-dione 6-[[(2S,6R)-2,6-dimethylcyclohex…

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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 5.27 -10.9 3 5 0 78 287.363 2 ↓

Analogs

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Popular Name: 6-[[(2S,6S)-2,6-dimethylcyclohexyl]amino]-1,4-dihydroquinoxaline-2,3-dione 6-[[(2S,6S)-2,6-dimethylcyclohex…

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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 5.01 -10.86 3 5 0 78 287.363 2 ↓

Analogs

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Popular Name: 6-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]-1,4-dihydroquinoxaline-2,3-dione 6-[[(2R,6R)-2,6-dimethylcyclohex…

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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 -10.81 3 5 0 78 287.363 2 ↓

Analogs

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Popular Name: 6-(cyclohexylamino)-1,4-dihydroquinoxaline-2,3-dione 6-(cyclohexylamino)-1,4-dihydroq…

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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) 2.14 3.69 -10.99 3 5 0 78 259.309 2 ↓

Analogs

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Popular Name: 6-[[(1S,2R)-2-methoxycyclohexyl]amino]-1,4-dihydroquinoxaline-2,3-dione 6-[[(1S,2R)-2-methoxycyclohexyl]…

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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) 1.61 3.03 -11.75 3 6 0 87 289.335 3 ↓

Analogs

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Popular Name: 6-[[(1S,2S)-2-methoxycyclohexyl]amino]-1,4-dihydroquinoxaline-2,3-dione 6-[[(1S,2S)-2-methoxycyclohexyl]…

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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) 1.61 2.73 -11.76 3 6 0 87 289.335 3 ↓

Analogs

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Popular Name: 6-[[(1R,2R)-2-methoxycyclohexyl]amino]-1,4-dihydroquinoxaline-2,3-dione 6-[[(1R,2R)-2-methoxycyclohexyl]…

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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) 1.61 2.73 -11.8 3 6 0 87 289.335 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1R,2S)-2-methoxycyclohexyl]amino]-1,4-dihydroquinoxaline-2,3-dione 6-[[(1R,2S)-2-methoxycyclohexyl]…

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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) 1.61 3.03 -11.76 3 6 0 87 289.335 3 ↓

Parameters Provided:

ring.id = 134580
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 = 134580 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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