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Analogs

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Popular Name: (4S)-4-(4-chlorophenyl)-N-(p-tolylmethyl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide (4S)-4-(4-chlorophenyl)-N-(p-tol…

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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) 6.54 14.85 -7.71 1 4 0 37 441.962 3 ↓

Analogs

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Popular Name: (4R)-4-(4-chlorophenyl)-N-(p-tolylmethyl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide (4R)-4-(4-chlorophenyl)-N-(p-tol…

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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) 6.54 14.86 -7.65 1 4 0 37 441.962 3 ↓

Analogs

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Popular Name: (4S)-N-benzyl-4-(4-isopropylphenyl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide (4S)-N-benzyl-4-(4-isopropylphen…

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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) 6.93 15.69 -8.08 1 4 0 37 435.571 4 ↓

Analogs

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Popular Name: (4R)-N-benzyl-4-(4-isopropylphenyl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide (4R)-N-benzyl-4-(4-isopropylphen…

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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) 6.93 15.58 -8.07 1 4 0 37 435.571 4 ↓

Analogs

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Popular Name: (4S)-4-(4-isopropylphenyl)-N-(p-tolylmethyl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxam (4S)-4-(4-isopropylphenyl)-N-(p-…

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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) 7.38 16.28 -8.05 1 4 0 37 449.598 4 ↓

Analogs

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Popular Name: (4R)-4-(4-isopropylphenyl)-N-(p-tolylmethyl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxam (4R)-4-(4-isopropylphenyl)-N-(p-…

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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) 7.38 16.28 -8.06 1 4 0 37 449.598 4 ↓

Analogs

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Popular Name: (4S)-4-(3,5-difluorophenyl)-N-(p-tolylmethyl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxa (4S)-4-(3,5-difluorophenyl)-N-(p…

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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) 6.12 14.52 -8.19 1 4 0 37 443.497 3 ↓

Analogs

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Popular Name: (4R)-4-(3,5-difluorophenyl)-N-(p-tolylmethyl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxa (4R)-4-(3,5-difluorophenyl)-N-(p…

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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) 6.12 14.47 -8.12 1 4 0 37 443.497 3 ↓

Analogs

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Popular Name: (4S)-4-(3-chlorophenyl)-N-(p-tolylmethyl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide (4S)-4-(3-chlorophenyl)-N-(p-tol…

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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) 6.52 14.85 -8.69 1 4 0 37 441.962 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3-chlorophenyl)-N-(p-tolylmethyl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide (4R)-4-(3-chlorophenyl)-N-(p-tol…

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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) 6.52 14.85 -8.61 1 4 0 37 441.962 3 ↓

Analogs

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Popular Name: (4S)-4-(2-chlorophenyl)-N-(p-tolylmethyl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide (4S)-4-(2-chlorophenyl)-N-(p-tol…

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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) 6.49 14.86 -11.73 1 4 0 37 441.962 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-chlorophenyl)-N-(p-tolylmethyl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide (4R)-4-(2-chlorophenyl)-N-(p-tol…

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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) 6.49 14.87 -8.42 1 4 0 37 441.962 3 ↓

Parameters Provided:

ring.id = 89371
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 = 89371 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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