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Analogs

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Popular Name: 3-[[(1S,2R,4R)-2,4-dimethylcyclohexyl]amino]-2H-isoquinolin-1-one 3-[[(1S,2R,4R)-2,4-dimethylcyclo…

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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) 3.85 8.74 -7.67 2 3 0 45 270.376 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S,2R,4S)-2,4-dimethylcyclohexyl]amino]-2H-isoquinolin-1-one 3-[[(1S,2R,4S)-2,4-dimethylcyclo…

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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) 3.85 8.11 -7.81 2 3 0 45 270.376 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R,2R,4R)-2,4-dimethylcyclohexyl]amino]-2H-isoquinolin-1-one 3-[[(1R,2R,4R)-2,4-dimethylcyclo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.85 8.43 -7.86 2 3 0 45 270.376 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R,2R,4S)-2,4-dimethylcyclohexyl]amino]-2H-isoquinolin-1-one 3-[[(1R,2R,4S)-2,4-dimethylcyclo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.85 8.2 -7.86 2 3 0 45 270.376 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-propylcyclohexyl)amino]-2H-isoquinolin-1-one 3-[(4-propylcyclohexyl)amino]-2H…

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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) 4.62 9.37 -7.91 2 3 0 45 284.403 4 ↓

Parameters Provided:

ring.id = 524703
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 = 524703 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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