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Analogs

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Popular Name: 1-tert-butyl-6-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-4,5-dihydropyrazolo[3,4-d]pyrimidine 1-tert-butyl-6-[(2R)-2-(4-methox…

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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) 3.10 11.98 -30.04 2 6 1 56 354.478 4 ↓
Mid Mid (pH 6-8) 3.10 11.69 -12.47 1 6 0 55 353.47 4 ↓

Analogs

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Popular Name: 1-tert-butyl-6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-4,5-dihydropyrazolo[3,4-d]pyrimidine 1-tert-butyl-6-[(2S)-2-(4-methox…

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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) 3.10 12.09 -30.8 2 6 1 56 354.478 4 ↓
Mid Mid (pH 6-8) 3.10 11.74 -11.83 1 6 0 55 353.47 4 ↓

Analogs

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Popular Name: 2-[4-(1-tert-butyl-4,5-dihydropyrazolo[3,4-d]pyrimidin-6-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetam 2-[4-(1-tert-butyl-4,5-dihydropy…

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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) 2.28 9.26 -36.98 3 8 1 79 414.509 5 ↓
Mid Mid (pH 6-8) 2.28 9.31 -17.53 2 8 0 78 413.501 5 ↓
Lo Low (pH 4.5-6) 2.28 11.44 -114.02 4 8 2 81 415.517 5 ↓

Analogs

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Popular Name: 1-tert-butyl-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-4,5-dihydropyrazolo[3,4-d]pyrimidine 1-tert-butyl-6-[4-(2,2-difluoroe…

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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) 1.52 8.08 -31.54 2 6 1 50 327.403 4 ↓
Hi High (pH 8-9.5) 1.52 8.13 -11.38 1 6 0 49 326.395 4 ↓

Parameters Provided:

ring.id = 183983
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 = 183983 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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