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Analogs

4043642
4043642

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Popular Name: (10aS)-2-isopropyl-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione (10aS)-2-isopropyl-10,10a-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) 1.47 6.97 -7.35 0 4 0 41 244.294 1 ↓

Analogs

4043642
4043642

Draw Identity 99% 90% 80% 70%

Popular Name: (10aR)-2-isopropyl-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione (10aR)-2-isopropyl-10,10a-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) 1.47 6.97 -7.36 0 4 0 41 244.294 1 ↓

Analogs

4043642
4043642

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Popular Name: (10aS)-2-ethyl-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione (10aS)-2-ethyl-10,10a-dihydro-5H…

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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) 1.17 6.5 -7.73 0 4 0 41 230.267 1 ↓

Analogs

4043642
4043642

Draw Identity 99% 90% 80% 70%

Popular Name: (10aR)-2-ethyl-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione (10aR)-2-ethyl-10,10a-dihydro-5H…

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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) 1.17 6.5 -7.8 0 4 0 41 230.267 1 ↓

Analogs

4089108
4089108
8516665
8516665

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Popular Name: (10aS)-2-propyl-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione (10aS)-2-propyl-10,10a-dihydro-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) 1.68 7.26 -7.54 0 4 0 41 244.294 2 ↓

Analogs

4089108
4089108
8516665
8516665

Draw Identity 99% 90% 80% 70%

Popular Name: (10aR)-2-propyl-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione (10aR)-2-propyl-10,10a-dihydro-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) 1.68 7.26 -7.55 0 4 0 41 244.294 2 ↓

Analogs

4089108
4089108
8516665
8516665

Draw Identity 99% 90% 80% 70%

Popular Name: (10aS)-2-butyl-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione (10aS)-2-butyl-10,10a-dihydro-5H…

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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) 2.24 8.04 -7.42 0 4 0 41 258.321 3 ↓

Analogs

4089108
4089108
8516665
8516665

Draw Identity 99% 90% 80% 70%

Popular Name: (10aR)-2-butyl-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione (10aR)-2-butyl-10,10a-dihydro-5H…

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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) 2.24 8.04 -7.48 0 4 0 41 258.321 3 ↓

Analogs

4043642
4043642

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Popular Name: (10aS)-2-tert-butyl-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione (10aS)-2-tert-butyl-10,10a-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) 1.98 7.56 -6.9 0 4 0 41 258.321 1 ↓

Analogs

4043642
4043642

Draw Identity 99% 90% 80% 70%

Popular Name: (10aR)-2-tert-butyl-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione (10aR)-2-tert-butyl-10,10a-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) 1.98 7.57 -6.94 0 4 0 41 258.321 1 ↓

Analogs

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Popular Name: (10aS)-2-(2,5-dimethylpyrazol-3-yl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione (10aS)-2-(2,5-dimethylpyrazol-3-…

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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) 1.29 7.98 -12.5 0 6 0 58 296.33 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (10aR)-2-(2,5-dimethylpyrazol-3-yl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione (10aR)-2-(2,5-dimethylpyrazol-3-…

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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) 1.29 7.98 -12.67 0 6 0 58 296.33 1 ↓

Analogs

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Popular Name: (10aS)-2-(2-isopropylpyrazol-3-yl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione (10aS)-2-(2-isopropylpyrazol-3-y…

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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) 1.81 9.09 -11.96 0 6 0 58 310.357 2 ↓

Analogs

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Popular Name: (10aS)-2-(2-propylpyrazol-3-yl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione (10aS)-2-(2-propylpyrazol-3-yl)-…

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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) 1.95 9.03 -11.68 0 6 0 58 310.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (10aR)-2-(2-propylpyrazol-3-yl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione (10aR)-2-(2-propylpyrazol-3-yl)-…

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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) 1.95 9.03 -11.86 0 6 0 58 310.357 3 ↓

Parameters Provided:

ring.id = 111639
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 = 111639 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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