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Analogs

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Popular Name: 3-[5,6-dichloro-1-(4-chlorobenzyl)-1H-1,3-benzimidazol-2-yl]-2(1H)-pyridinone 3-[5,6-dichloro-1-(4-chlorobenzy…

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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) 5.52 10.6 -22.14 1 4 0 51 404.684 3 ↓

Analogs

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Popular Name: 3-[5,6-dichloro-1-(2-chlorobenzyl)-1H-1,3-benzimidazol-2-yl]-2(1H)-pyridinone 3-[5,6-dichloro-1-(2-chlorobenzy…

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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) 5.47 10.15 -21.63 1 4 0 51 404.684 3 ↓

Analogs

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Popular Name: 3-[5,6-dichloro-1-(2-chloro-6-fluorobenzyl)-1H-1,3-benzimidazol-2-yl]-2(1H)-pyridinone 3-[5,6-dichloro-1-(2-chloro-6-fl…

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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) 5.59 9.87 -20.29 1 4 0 51 422.674 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5,6-dichloro-1-(2-fluorobenzyl)-1H-1,3-benzimidazol-2-yl]-2(1H)-pyridinone 3-[5,6-dichloro-1-(2-fluorobenzy…

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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) 4.96 10.02 -22.32 1 4 0 51 388.229 3 ↓

Analogs

8781676
8781676

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Popular Name: 3-[5,6-dichloro-1-(3-chlorobenzyl)-1H-1,3-benzimidazol-2-yl]-2(1H)-pyridinone 3-[5,6-dichloro-1-(3-chlorobenzy…

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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) 5.50 10.62 -21.89 1 4 0 51 404.684 3 ↓

Analogs

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Popular Name: 3-[5,6-dichloro-1-(3-fluorobenzyl)-1H-1,3-benzimidazol-2-yl]-2(1H)-pyridinone 3-[5,6-dichloro-1-(3-fluorobenzy…

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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) 4.98 10.17 -22.88 1 4 0 51 388.229 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5,6-dichloro-1-(4-fluorobenzyl)-1H-1,3-benzimidazol-2-yl]-2(1H)-pyridinone 3-[5,6-dichloro-1-(4-fluorobenzy…

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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) 5.01 10.16 -22.83 1 4 0 51 388.229 3 ↓

Analogs

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Popular Name: 3-[5,6-dichloro-1-(2-methylbenzyl)-1H-1,3-benzimidazol-2-yl]-2(1H)-pyridinone 3-[5,6-dichloro-1-(2-methylbenzy…

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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) 5.24 10.19 -22.15 1 4 0 51 384.266 3 ↓

Analogs

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Popular Name: 3-[5,6-dichloro-1-(4-methylbenzyl)-1H-1,3-benzimidazol-2-yl]-2(1H)-pyridinone 3-[5,6-dichloro-1-(4-methylbenzy…

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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) 5.29 10.78 -21.8 1 4 0 51 384.266 3 ↓

Analogs

39907940
39907940

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Popular Name: 3-{1-[4-(tert-butyl)benzyl]-1H-1,3-benzimidazol-2-yl}-2(1H)-pyridinone 3-{1-[4-(tert-butyl)benzyl]-1H-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) 5.29 11.46 -24.49 1 4 0 51 357.457 4 ↓

Analogs

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Popular Name: 3-{5,6-dichloro-1-[3-(trifluoromethyl)benzyl]-1H-1,3-benzimidazol-2-yl}-2(1H)-pyridinone 3-{5,6-dichloro-1-[3-(trifluorom…

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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) 5.71 11.1 -22.77 1 4 0 51 438.236 4 ↓

Parameters Provided:

ring.id = 226853
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 = 226853 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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