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Analogs

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Popular Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-thioxo-5,6,7,8-tetrahydroquinazolin-2-one 1-[2-(3,4-dimethoxyphenyl)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) 2.36 -1.38 -19.99 1 5 0 56 346.452 5 ↓

Analogs

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Popular Name: 1-(benzo[1,3]dioxol-5-ylmethyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-2-one 1-(benzo[1,3]dioxol-5-ylmethyl)-…

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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) 2.39 -2.71 -17.86 1 5 0 56 316.382 2 ↓

Analogs

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Popular Name: 1-(3,4-dimethoxyphenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-2-one 1-(3,4-dimethoxyphenyl)-4-thioxo…

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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) 2.04 -1.25 -14.16 1 5 0 56 318.398 3 ↓

Analogs

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Popular Name: 1-(2,5-dioxabicyclo[4.4.0]deca-6,8,10-trien-8-yl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-2-one 1-(2,5-dioxabicyclo[4.4.0]deca-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) 1.90 7.3 -13.63 1 5 0 56 316.382 1 ↓

Analogs

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Popular Name: 1-benzo[1,3]dioxol-5-yl-4-thioxo-5,6,7,8-tetrahydroquinazolin-2-one 1-benzo[1,3]dioxol-5-yl-4-thioxo…

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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) 2.28 -2.45 -13.67 1 5 0 56 302.355 1 ↓

Analogs

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Popular Name: 4-[2-(2-oxo-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl)ethyl]benzenesulfonamide 4-[2-(2-oxo-4-thioxo-5,6,7,8-tet…

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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 -7.98 -24.95 3 6 0 97 365.48 4 ↓

Analogs

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Popular Name: 1-[2-(4-methoxyphenyl)ethyl]-4-thioxo-5,6,7,8-tetrahydroquinazolin-2-one 1-[2-(4-methoxyphenyl)ethyl]-4-t…

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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) 2.77 -1.71 -17.55 1 4 0 47 316.426 4 ↓

Analogs

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Popular Name: 1-[(4-chlorophenyl)methyl]-4-thioxo-5,6,7,8-tetrahydroquinazolin-2-one 1-[(4-chlorophenyl)methyl]-4-thi…

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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) 3.18 -2.02 -17.06 1 3 0 37 306.818 2 ↓

Analogs

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Popular Name: 1-[(2-methoxyphenyl)methyl]-4-thioxo-5,6,7,8-tetrahydroquinazolin-2-one 1-[(2-methoxyphenyl)methyl]-4-th…

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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) 2.51 -1.02 -17.32 1 4 0 47 302.399 3 ↓

Analogs

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Popular Name: 1-[(2-chlorophenyl)methyl]-4-thioxo-5,6,7,8-tetrahydroquinazolin-2-one 1-[(2-chlorophenyl)methyl]-4-thi…

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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) 3.13 -2.15 -12.25 1 3 0 37 306.818 2 ↓

Analogs

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Popular Name: 1-[2-(2-methoxyphenyl)ethyl]-4-thioxo-5,6,7,8-tetrahydroquinazolin-2-one 1-[2-(2-methoxyphenyl)ethyl]-4-t…

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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) 2.72 -1.63 -13.56 1 4 0 47 316.426 4 ↓

Analogs

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Popular Name: 1-[(3-methoxyphenyl)methyl]-4-thioxo-5,6,7,8-tetrahydroquinazolin-2-one 1-[(3-methoxyphenyl)methyl]-4-th…

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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) 2.53 -1.85 -19.73 1 4 0 47 302.399 3 ↓

Analogs

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Popular Name: 1-[(4-iodophenyl)methyl]-4-thioxo-5,6,7,8-tetrahydroquinazolin-2-one 1-[(4-iodophenyl)methyl]-4-thiox…

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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) 3.59 -2.7 -16.73 1 3 0 37 398.269 2 ↓

Analogs

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Popular Name: 1-[2-(1H-indol-3-yl)ethyl]-4-thioxo-5,6,7,8-tetrahydroquinazolin-2-one 1-[2-(1H-indol-3-yl)ethyl]-4-thi…

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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) 2.86 -2.77 -15.9 2 4 0 53 325.437 3 ↓

Analogs

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Popular Name: 1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-thioxo-5,6,7,8-tetrahydroquinazolin-2-one 1-[3-(2-oxopyrrolidin-1-yl)propy…

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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) 0.93 -2.91 -27.22 1 5 0 58 307.419 4 ↓

Analogs

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Popular Name: 1-(3-phenylpropyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-2-one 1-(3-phenylpropyl)-4-thioxo-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) 3.23 -1.64 -17.26 1 3 0 37 300.427 4 ↓

Parameters Provided:

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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 = 9801 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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