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Analogs

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Popular Name: 1-[4-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]-2-(3-pyridyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7 1-[4-[[2-hydroxy-1-(hydroxymethy…

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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) -0.65 2.01 -13.42 3 8 0 111 343.387 5 ↓
Lo Low (pH 4.5-6) -0.65 2.34 -39.03 4 8 1 113 344.395 5 ↓

Analogs

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Popular Name: 1-[4-(isobutylamino)-2-(3-pyridyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone 1-[4-(isobutylamino)-2-(3-pyridy…

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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) 1.75 7.55 -11.12 1 6 0 71 325.416 4 ↓
Lo Low (pH 4.5-6) 1.75 7.88 -36.74 2 6 1 72 326.424 4 ↓

Analogs

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Popular Name: (2S,3R)-1-[4-(dimethylamino)-2-(3-pyridyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-methyl-2-(m (2S,3R)-1-[4-(dimethylamino)-2-(…

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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) 2.23 8.86 -42.83 2 7 1 79 383.52 6 ↓
Hi High (pH 8-9.5) 2.23 7.77 -9.16 1 7 0 74 382.512 6 ↓
Lo Low (pH 4.5-6) 2.23 9.18 -97.65 3 7 2 80 384.528 6 ↓

Analogs

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Popular Name: N-allyl-N-methyl-2-(3-pyridyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine N-allyl-N-methyl-2-(3-pyridyl)-5…

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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) 1.91 7.25 -50.69 2 5 1 59 282.371 4 ↓
Hi High (pH 8-9.5) 1.91 5.92 -8.37 1 5 0 54 281.363 4 ↓

Parameters Provided:

ring.id = 25705
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 = 25705 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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