UCSF
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Popular Name: N'-[[4-(dimethylamino)-3-fluoro-phenyl]methyl]-N-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)oxamide N'-[[4-(dimethylamino)-3-fluoro-…

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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) 1.56 6.52 -11.6 2 8 0 92 398.442 6 ↓
Hi High (pH 8-9.5) 1.74 5.65 -47.01 1 8 -1 98 397.434 6 ↓

Analogs

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Popular Name: N'-[[4-(dimethylamino)-3-fluoro-phenyl]methyl]-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)oxamide N'-[[4-(dimethylamino)-3-fluoro-…

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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) 1.04 5.54 -12.3 2 8 0 92 384.415 5 ↓
Hi High (pH 8-9.5) 1.23 4.67 -46.61 1 8 -1 98 383.407 5 ↓

Parameters Provided:

ring.id = 145049
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 = 145049 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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