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Analogs

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Popular Name: 4,6-dimethyl-1-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-2-one 4,6-dimethyl-1-[2-[(4-methylcycl…

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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) 1.85 6.23 -54.2 2 4 1 52 264.393 4 ↓

Analogs

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Popular Name: 4,6-dimethyl-1-[2-[[(1R,2S)-2-methylcyclohexyl]amino]ethyl]pyrimidin-2-one 4,6-dimethyl-1-[2-[[(1R,2S)-2-me…

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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) 2.32 6.1 -52.75 2 4 1 52 264.393 4 ↓

Analogs

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Popular Name: 4,6-dimethyl-1-[2-[[(1S,2S)-2-methylcyclohexyl]amino]ethyl]pyrimidin-2-one 4,6-dimethyl-1-[2-[[(1S,2S)-2-me…

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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) 2.32 6.28 -52.75 2 4 1 52 264.393 4 ↓

Analogs

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Popular Name: 4,6-dimethyl-1-[2-[[(1R,2R)-2-methylcyclohexyl]amino]ethyl]pyrimidin-2-one 4,6-dimethyl-1-[2-[[(1R,2R)-2-me…

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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) 2.32 6.28 -52.84 2 4 1 52 264.393 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethyl-1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]ethyl]pyrimidin-2-one 4,6-dimethyl-1-[2-[[(1S,2R)-2-me…

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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) 2.32 6.1 -53.98 2 4 1 52 264.393 4 ↓

Analogs

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Popular Name: 4,6-dimethyl-1-[2-[[(1R,3S)-3-methylcyclohexyl]amino]ethyl]pyrimidin-2-one 4,6-dimethyl-1-[2-[[(1R,3S)-3-me…

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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) 2.08 6.22 -54.04 2 4 1 52 264.393 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethyl-1-[2-[[(1S,3S)-3-methylcyclohexyl]amino]ethyl]pyrimidin-2-one 4,6-dimethyl-1-[2-[[(1S,3S)-3-me…

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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) 2.08 5.99 -54.47 2 4 1 52 264.393 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethyl-1-[2-[[(1R,3R)-3-methylcyclohexyl]amino]ethyl]pyrimidin-2-one 4,6-dimethyl-1-[2-[[(1R,3R)-3-me…

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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) 2.08 5.99 -54.04 2 4 1 52 264.393 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethyl-1-[2-[[(1S,3R)-3-methylcyclohexyl]amino]ethyl]pyrimidin-2-one 4,6-dimethyl-1-[2-[[(1S,3R)-3-me…

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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) 2.08 6.22 -54.84 2 4 1 52 264.393 4 ↓

Analogs

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Popular Name: 1-[2-(cyclohexylamino)ethyl]-4,6-dimethyl-pyrimidin-2-one 1-[2-(cyclohexylamino)ethyl]-4,6…

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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) 2.08 5.62 -53.49 2 4 1 52 250.366 4 ↓

Analogs

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Popular Name: 1-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-2-one 1-[2-[(4-methylcyclohexyl)amino]…

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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 4.95 -56.26 2 4 1 52 236.339 4 ↓

Analogs

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Popular Name: 1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]ethyl]pyrimidin-2-one 1-[2-[[(1S,2R)-2-methylcyclohexy…

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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) 1.33 5.04 -53.99 2 4 1 52 236.339 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[[(1S,2S)-2-methylcyclohexyl]amino]ethyl]pyrimidin-2-one 1-[2-[[(1S,2S)-2-methylcyclohexy…

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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) 1.33 5.23 -54.1 2 4 1 52 236.339 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[[(1R,2R)-2-methylcyclohexyl]amino]ethyl]pyrimidin-2-one 1-[2-[[(1R,2R)-2-methylcyclohexy…

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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) 1.33 5.23 -54.01 2 4 1 52 236.339 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[[(1R,2S)-2-methylcyclohexyl]amino]ethyl]pyrimidin-2-one 1-[2-[[(1R,2S)-2-methylcyclohexy…

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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) 1.33 5.04 -55.24 2 4 1 52 236.339 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[[(1S,3R)-3-methylcyclohexyl]amino]ethyl]pyrimidin-2-one 1-[2-[[(1S,3R)-3-methylcyclohexy…

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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) 1.10 5.17 -55.26 2 4 1 52 236.339 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[[(1S,3S)-3-methylcyclohexyl]amino]ethyl]pyrimidin-2-one 1-[2-[[(1S,3S)-3-methylcyclohexy…

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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) 1.10 4.93 -55.23 2 4 1 52 236.339 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[[(1R,3R)-3-methylcyclohexyl]amino]ethyl]pyrimidin-2-one 1-[2-[[(1R,3R)-3-methylcyclohexy…

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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) 1.10 4.93 -55.73 2 4 1 52 236.339 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[[(1R,3S)-3-methylcyclohexyl]amino]ethyl]pyrimidin-2-one 1-[2-[[(1R,3S)-3-methylcyclohexy…

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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) 1.10 5.16 -56.05 2 4 1 52 236.339 4 ↓

Analogs

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Popular Name: 1-[2-(cyclohexylamino)ethyl]pyrimidin-2-one 1-[2-(cyclohexylamino)ethyl]pyri…

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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) 1.09 4.56 -54.67 2 4 1 52 222.312 4 ↓

Parameters Provided:

ring.id = 69362
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 = 69362 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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