UCSF
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Analogs

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Popular Name: (1R,5S)-7-(cyclopropanecarbonylamino)-N-phenyl-9-azabicyclo[3.3.1]nonane-9-carboxamide (1R,5S)-7-(cyclopropanecarbonyla…

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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 8.32 -19.18 2 5 0 61 327.428 3 ↓

Analogs

4888447
4888447
15935467
15935467
48459212
48459212

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Popular Name: 7-cyclopropylcarbonylamino-N-(4-ethoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide 7-cyclopropylcarbonylamino-N-(4-…

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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) 3.37 8.53 -20.53 2 6 0 71 371.481 5 ↓

Analogs

12499671
12499671

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Popular Name: 7-cyclopropylcarbonylamino-N-(2-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide 7-cyclopropylcarbonylamino-N-(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) 3.05 7.73 -9.74 2 5 0 61 345.418 3 ↓

Analogs

12499688
12499688

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Popular Name: 7-cyclopropylcarbonylamino-N-(4-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide 7-cyclopropylcarbonylamino-N-(4-…

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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) 3.10 -1.9 -11.48 2 5 0 61 345.418 3 ↓

Analogs

34942863
34942863

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Popular Name: (1R,5S)-7-(cyclopropanecarbonylamino)-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide (1R,5S)-7-(cyclopropanecarbonyla…

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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) 2.97 7.17 -13.98 2 6 0 71 357.454 4 ↓

Analogs

4888188
4888188

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Popular Name: (1R,5S)-7-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide (1R,5S)-7-(cyclopropanecarbonyla…

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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) 3.00 7.17 -15.73 2 6 0 71 357.454 4 ↓

Analogs

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Popular Name: (1R,5S)-7-(cyclopropanecarbonylamino)-N-(p-tolyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide (1R,5S)-7-(cyclopropanecarbonyla…

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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) 3.39 8.55 -14.25 2 5 0 61 341.455 3 ↓

Analogs

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Popular Name: (1R,5S)-N-(3-acetylphenyl)-7-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide (1R,5S)-N-(3-acetylphenyl)-7-(cy…

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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) 2.81 8.29 -15.66 2 6 0 79 369.465 4 ↓

Parameters Provided:

ring.id = 224957
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 = 224957 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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