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Analogs

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Popular Name: 2-[4-[[2-[(3-cyano-6,7-dihydro-5H-cyclopenta[e]pyridin-2-yl)sulfanyl]acetyl]amino]phenyl]quinoline-4 2-[4-[[2-[(3-cyano-6,7-dihydro-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) 4.72 12.67 -64.66 1 7 -1 119 479.541 6 ↓
Lo Low (pH 4.5-6) 4.72 12.99 -46.7 2 7 0 120 480.549 6 ↓

Analogs

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Popular Name: 2-[4-[[(2R)-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[e]pyridin-2-yl)sulfanyl]propanoyl]amino]phenyl]qui 2-[4-[[(2R)-2-[(3-cyano-6,7-dihy…

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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) 5.08 13.62 -59.91 1 7 -1 119 493.568 6 ↓
Lo Low (pH 4.5-6) 5.08 13.93 -54.58 2 7 0 120 494.576 6 ↓

Analogs

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Popular Name: 2-[4-[[(2S)-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[e]pyridin-2-yl)sulfanyl]propanoyl]amino]phenyl]qui 2-[4-[[(2S)-2-[(3-cyano-6,7-dihy…

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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) 5.08 13.62 -59.73 1 7 -1 119 493.568 6 ↓
Lo Low (pH 4.5-6) 5.08 13.93 -55.61 2 7 0 120 494.576 6 ↓

Parameters Provided:

ring.id = 114419
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 = 114419 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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