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Analogs

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Popular Name: N-(1,2,3,4-tetrahydroquinolin-7-yl)cyclopropanecarboxamide N-(1,2,3,4-tetrahydroquinolin-7-…

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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) 2.33 4.96 -9.18 2 3 0 41 216.284 2 ↓
Lo Low (pH 4.5-6) 2.33 5.42 -44 3 3 1 46 217.292 2 ↓

Analogs

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Popular Name: (1S,2R)-2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)cyclopropanecarboxamide (1S,2R)-2-methyl-N-(1,2,3,4-tetr…

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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) 2.94 5.69 -8.29 2 3 0 41 230.311 2 ↓
Lo Low (pH 4.5-6) 2.94 6.15 -43.1 3 3 1 46 231.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)cyclopropanecarboxamide (1S,2S)-2-methyl-N-(1,2,3,4-tetr…

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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) 2.94 5.64 -8.97 2 3 0 41 230.311 2 ↓
Lo Low (pH 4.5-6) 2.94 6.11 -44.08 3 3 1 46 231.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)cyclopropanecarboxamide (1R,2R)-2-methyl-N-(1,2,3,4-tetr…

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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) 2.94 5.64 -9.01 2 3 0 41 230.311 2 ↓
Lo Low (pH 4.5-6) 2.94 6.11 -44.02 3 3 1 46 231.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)cyclopropanecarboxamide (1R,2S)-2-methyl-N-(1,2,3,4-tetr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.94 5.69 -8.34 2 3 0 41 230.311 2 ↓
Lo Low (pH 4.5-6) 2.94 6.14 -43.03 3 3 1 46 231.319 2 ↓

Parameters Provided:

ring.id = 242980
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 = 242980 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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