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Analogs

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Popular Name: (2R)-2-tert-butyl-5-[(2R)-2-(dimethylamino)pyrrolidin-1-yl]-2,7-dimethyl-3H-[1,2,4]triazolo[1,5-a]py (2R)-2-tert-butyl-5-[(2R)-2-(dim…

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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) 3.26 8.5 -24.07 2 6 1 61 343.499 3 ↓
Hi High (pH 8-9.5) 3.26 7.56 -12.04 1 6 0 60 342.491 3 ↓

Analogs

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Popular Name: (2S)-2-tert-butyl-5-[(2R)-2-(dimethylamino)pyrrolidin-1-yl]-2,7-dimethyl-3H-[1,2,4]triazolo[1,5-a]py (2S)-2-tert-butyl-5-[(2R)-2-(dim…

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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) 3.26 8.52 -23.48 2 6 1 61 343.499 3 ↓
Hi High (pH 8-9.5) 3.26 7.58 -11.5 1 6 0 60 342.491 3 ↓

Analogs

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Popular Name: (2S)-6-butyl-5-chloro-2,3-dimethyl-2H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile (2S)-6-butyl-5-chloro-2,3-dimeth…

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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) 3.88 6.51 -9.18 0 4 0 44 264.76 3 ↓
Lo Low (pH 4.5-6) 3.88 7.5 -28.32 1 4 1 46 265.768 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-butyl-5-chloro-2,3-dimethyl-2H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile (2R)-6-butyl-5-chloro-2,3-dimeth…

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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) 3.88 6.25 -9.24 0 4 0 44 264.76 3 ↓
Lo Low (pH 4.5-6) 3.88 7.24 -28.28 1 4 1 46 265.768 3 ↓

Parameters Provided:

ring.id = 195861
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 = 195861 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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