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Analogs

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Popular Name: (4R)-2-[(5-bromonicotinoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylic-acid-dimeth (4R)-2-[(5-bromonicotinoyl)amino…

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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) 1.76 0.19 -14.84 1 7 0 94 439.287 6 ↓

Analogs

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Popular Name: (4S)-2-[(5-bromonicotinoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylic-acid-dimeth (4S)-2-[(5-bromonicotinoyl)amino…

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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) 1.76 0.31 -13.14 1 7 0 94 439.287 6 ↓

Analogs

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Popular Name: 2-[(5-bromonicotinoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic-acid-methyl-ester 2-[(5-bromonicotinoyl)amino]-5,6…

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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 7.13 -9.19 1 5 0 68 381.251 4 ↓

Analogs

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Popular Name: 2-[(5-bromopyridine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic 2-[(5-bromopyridine-3-carbonyl)a…

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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) 2.49 7.14 -50.2 1 5 -1 82 366.216 3 ↓

Analogs

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Popular Name: 2-[(6-methylpyridine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic 2-[(6-methylpyridine-3-carbonyl)…

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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) 1.59 7.13 -55.27 1 5 -1 82 301.347 3 ↓

Analogs

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Popular Name: 5-bromo-N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-3-carboxamide 5-bromo-N-(3-carbamoyl-5,6-dihyd…

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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) 1.74 3.11 -10.74 3 5 0 85 366.24 3 ↓

Parameters Provided:

ring.id = 221714
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 = 221714 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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