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Analogs

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Popular Name: N-methyl-N-[4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiazol-2-yl]acetamid N-methyl-N-[4-[[4-methyl-5-(trif…

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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) 1.73 7.38 -13.83 0 6 0 64 351.379 5 ↓

Analogs

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Popular Name: 4-isopropyl-5-[(2-isopropylthiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-amine 4-isopropyl-5-[(2-isopropylthiaz…

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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) 2.46 8.45 -12.69 2 5 0 70 297.453 5 ↓

Analogs

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Popular Name: N-[4-[(5-amino-4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiazol-2-yl]acetamide N-[4-[(5-amino-4-isopropyl-1,2,4…

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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) 1.03 6.36 -16.43 3 7 0 99 312.424 5 ↓

Analogs

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Popular Name: 4-[(5-amino-4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiazole-2-carboxylic 4-[(5-amino-4-isopropyl-1,2,4-tr…

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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) 0.99 6.9 -53.8 2 7 -1 110 298.373 5 ↓

Analogs

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Popular Name: 4-[(5-amino-4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiazol-2-amine 4-[(5-amino-4-isopropyl-1,2,4-tr…

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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) 1.29 5.37 -13.59 4 6 0 96 270.387 4 ↓

Analogs

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Popular Name: 4-isopropyl-5-[(2-methylthiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-amine 4-isopropyl-5-[(2-methylthiazol-…

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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) 1.40 7.08 -13.04 2 5 0 70 269.399 4 ↓

Analogs

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Popular Name: 4-isopropyl-5-(thiazol-4-ylmethylsulfanyl)-1,2,4-triazol-3-amine 4-isopropyl-5-(thiazol-4-ylmethy…

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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) 1.68 6.34 -13.09 2 5 0 70 255.372 4 ↓

Analogs

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Popular Name: 4-isopropyl-5-[(2-propylthiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-amine 4-isopropyl-5-[(2-propylthiazol-…

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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) 2.47 8.6 -12.58 2 5 0 70 297.453 6 ↓

Analogs

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Popular Name: 5-[(2-ethylthiazol-4-yl)methylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[(2-ethylthiazol-4-yl)methylsu…

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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) 1.97 7.84 -12.82 2 5 0 70 283.426 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.62 7.88 -17.5 2 7 0 96 327.435 7 ↓

Analogs

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Popular Name: 5-[(2-tert-butylthiazol-4-yl)methylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[(2-tert-butylthiazol-4-yl)met…

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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) 3.12 8.93 -12.55 2 5 0 70 311.48 5 ↓

Analogs

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Popular Name: 3-[(2-tert-butylthiazol-4-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine 3-[(2-tert-butylthiazol-4-yl)met…

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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) 2.05 6.18 -10.77 2 5 0 70 283.426 4 ↓

Analogs

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Popular Name: 2-ethyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiazole 2-ethyl-4-[(4-methyl-1,2,4-triaz…

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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) 1.43 7.12 -12.55 0 4 0 44 240.357 4 ↓

Parameters Provided:

ring.id = 31592
filter.purchasability = annotated
page.format = targets
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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 = 31592 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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