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Analogs

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Popular Name: 2-(cyclopropylcarbamoylamino)-N-(2-thienylmethyl)acetamide 2-(cyclopropylcarbamoylamino)-N-…

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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) 1.02 1.49 -9 3 5 0 70 253.327 5 ↓

Analogs

4915906
4915906
4925932
4925932

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Popular Name: 2-(cyclopropylcarbamoylamino)-N-methyl-N-(2-thienylmethyl)acetamide 2-(cyclopropylcarbamoylamino)-N-…

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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) 0.76 3.58 -9.68 2 5 0 61 267.354 5 ↓

Analogs

4915906
4915906

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Popular Name: N-allyl-2-(cyclopropylcarbamoylamino)-N-(2-thienylmethyl)acetamide N-allyl-2-(cyclopropylcarbamoyla…

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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) 1.41 5.09 -8.8 2 5 0 61 293.392 7 ↓

Analogs

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Popular Name: 2-(cyclopropylcarbamoylamino)-N-[(1S)-1-(2-thienyl)ethyl]acetamide 2-(cyclopropylcarbamoylamino)-N-…

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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) 1.58 2.32 -8.51 3 5 0 70 267.354 5 ↓

Analogs

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Popular Name: 2-(cyclopropylcarbamoylamino)-N-[(1R)-1-(2-thienyl)ethyl]acetamide 2-(cyclopropylcarbamoylamino)-N-…

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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) 1.58 2.32 -8.51 3 5 0 70 267.354 5 ↓

Analogs

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Popular Name: N-[(5-chloro-2-thienyl)methyl]-2-(cyclopropylcarbamoylamino)-N-methyl-acetamide N-[(5-chloro-2-thienyl)methyl]-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) 1.56 4.2 -9.13 2 5 0 61 301.799 5 ↓

Analogs

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Popular Name: N-[(5-chloro-2-thienyl)methyl]-2-(cyclopropylcarbamoylamino)-N-ethyl-acetamide N-[(5-chloro-2-thienyl)methyl]-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) 1.94 5.11 -8.53 2 5 0 61 315.826 6 ↓

Analogs

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Popular Name: 2-(cyclopropylcarbamoylamino)-N-methyl-N-[(1S)-1-(2-thienyl)ethyl]acetamide 2-(cyclopropylcarbamoylamino)-N-…

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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) 1.32 3.88 -9.22 2 5 0 61 281.381 5 ↓

Analogs

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Popular Name: 2-(cyclopropylcarbamoylamino)-N-methyl-N-[(1R)-1-(2-thienyl)ethyl]acetamide 2-(cyclopropylcarbamoylamino)-N-…

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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) 1.32 3.87 -9.16 2 5 0 61 281.381 5 ↓

Analogs

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Popular Name: 2-(cyclopropylcarbamoylamino)-N-[(1R)-1-(5-methyl-2-thienyl)ethyl]acetamide 2-(cyclopropylcarbamoylamino)-N-…

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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) 1.80 3.15 -8.56 3 5 0 70 281.381 5 ↓

Analogs

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Popular Name: 2-(cyclopropylcarbamoylamino)-N-[(1S)-1-(5-methyl-2-thienyl)ethyl]acetamide 2-(cyclopropylcarbamoylamino)-N-…

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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) 1.80 3.15 -8.59 3 5 0 70 281.381 5 ↓

Analogs

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Popular Name: 2-(cyclopropylcarbamoylamino)-N-[(1S)-1-(2-thienyl)propyl]acetamide 2-(cyclopropylcarbamoylamino)-N-…

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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) 2.08 2.93 -8.01 3 5 0 70 281.381 6 ↓

Analogs

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Popular Name: 2-(cyclopropylcarbamoylamino)-N-[(1R)-1-(2-thienyl)propyl]acetamide 2-(cyclopropylcarbamoylamino)-N-…

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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) 2.08 2.93 -8.02 3 5 0 70 281.381 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclopropylcarbamoylamino)-N-methyl-N-[(1R)-1-(5-methyl-2-thienyl)ethyl]acetamide 2-(cyclopropylcarbamoylamino)-N-…

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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) 1.54 4.7 -9.33 2 5 0 61 295.408 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclopropylcarbamoylamino)-N-methyl-N-[(1S)-1-(5-methyl-2-thienyl)ethyl]acetamide 2-(cyclopropylcarbamoylamino)-N-…

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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) 1.54 4.71 -9.38 2 5 0 61 295.408 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-chloro-2-thienyl)methyl]-2-(cyclopropylcarbamoylamino)acetamide N-[(5-chloro-2-thienyl)methyl]-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) 1.82 2.12 -8.86 3 5 0 70 287.772 5 ↓

Parameters Provided:

ring.id = 13904
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 = 13904 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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