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Analogs

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Popular Name: N2,N2,5,6-tetramethyl-N4-[(1R)-1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]pyrimidine-2,4-diamine N2,N2,5,6-tetramethyl-N4-[(1R)-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) 2.75 9 -25.95 3 6 1 71 289.407 5 ↓
Hi High (pH 8-9.5) 2.75 8.54 -12.13 2 6 0 70 288.399 5 ↓

Analogs

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Popular Name: N2,N2,5,6-tetramethyl-N4-[(1S)-1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]pyrimidine-2,4-diamine N2,N2,5,6-tetramethyl-N4-[(1S)-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) 2.75 9.31 -24.25 3 6 1 71 289.407 5 ↓
Hi High (pH 8-9.5) 2.75 8.85 -10.75 2 6 0 70 288.399 5 ↓

Analogs

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Popular Name: methyl 4-{6-nitro-1,3-benzodioxol-5-yl}-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate methyl 4-{6-nitro-1,3-benzodioxo…

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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) 2.07 6.48 -27.39 3 5 1 68 260.365 5 ↓
Mid Mid (pH 6-8) 2.07 5.97 -9.86 2 5 0 66 259.357 5 ↓

Analogs

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Popular Name: methyl 4-{6-nitro-1,3-benzodioxol-5-yl}-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate methyl 4-{6-nitro-1,3-benzodioxo…

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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) 2.07 6.17 -27.38 3 5 1 68 260.365 5 ↓
Mid Mid (pH 6-8) 2.07 5.65 -9.46 2 5 0 66 259.357 5 ↓

Parameters Provided:

ring.id = 407932
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 = 407932 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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