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Analogs

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Popular Name: 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)thiazole-5-carbaldehyde 2-(3-oxo-2,4-dihydroquinoxalin-1…

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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) 2.18 4.71 -10.82 1 5 0 62 259.29 2 ↓

Analogs

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Popular Name: 4-(5-acetylthiazol-2-yl)-1,3-dihydroquinoxalin-2-one 4-(5-acetylthiazol-2-yl)-1,3-dih…

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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) 2.29 5.44 -12.68 1 5 0 62 273.317 2 ↓

Analogs

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Popular Name: 4-(5-acetyl-4-methyl-thiazol-2-yl)-1,3-dihydroquinoxalin-2-one 4-(5-acetyl-4-methyl-thiazol-2-y…

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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 6.03 -10.4 1 5 0 62 287.344 2 ↓

Analogs

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Popular Name: 4-[5-[(1R)-1-aminoethyl]-4-methyl-thiazol-2-yl]-1,3-dihydroquinoxalin-2-one 4-[5-[(1R)-1-aminoethyl]-4-methy…

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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) 0.48 4.18 -49.3 4 5 1 73 289.384 2 ↓
Mid Mid (pH 6-8) 0.48 3.85 -9.06 3 5 0 71 288.376 2 ↓

Analogs

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Popular Name: 4-[5-[(1S)-1-aminoethyl]-4-methyl-thiazol-2-yl]-1,3-dihydroquinoxalin-2-one 4-[5-[(1S)-1-aminoethyl]-4-methy…

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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) 0.48 4.19 -49.83 4 5 1 73 289.384 2 ↓
Mid Mid (pH 6-8) 0.48 3.85 -8.9 3 5 0 71 288.376 2 ↓

Analogs

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Popular Name: 4-[5-(aminomethyl)thiazol-2-yl]-1,3-dihydroquinoxalin-2-one 4-[5-(aminomethyl)thiazol-2-yl]-…

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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) 1.57 3.02 -52.01 4 5 1 73 261.33 2 ↓
Mid Mid (pH 6-8) 1.57 2.61 -8.73 3 5 0 71 260.322 2 ↓

Analogs

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Popular Name: 4-[5-[(1S)-1-aminoethyl]thiazol-2-yl]-1,3-dihydroquinoxalin-2-one 4-[5-[(1S)-1-aminoethyl]thiazol-…

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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) 0.26 3.7 -49.92 4 5 1 73 275.357 2 ↓
Mid Mid (pH 6-8) 0.26 3.35 -8.58 3 5 0 71 274.349 2 ↓

Analogs

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Popular Name: 4-[5-[(1R)-1-aminoethyl]thiazol-2-yl]-1,3-dihydroquinoxalin-2-one 4-[5-[(1R)-1-aminoethyl]thiazol-…

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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) 0.26 3.7 -49.24 4 5 1 73 275.357 2 ↓
Mid Mid (pH 6-8) 0.26 3.36 -8.5 3 5 0 71 274.349 2 ↓

Analogs

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Popular Name: 4-[4-methyl-5-[(1R)-1-(methylamino)ethyl]thiazol-2-yl]-1,3-dihydroquinoxalin-2-one 4-[4-methyl-5-[(1R)-1-(methylami…

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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) 2.73 5.9 -43.87 3 5 1 62 303.411 3 ↓
Hi High (pH 8-9.5) 2.73 4.62 -8.86 2 5 0 57 302.403 3 ↓

Analogs

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Popular Name: 4-[4-methyl-5-[(1S)-1-(methylamino)ethyl]thiazol-2-yl]-1,3-dihydroquinoxalin-2-one 4-[4-methyl-5-[(1S)-1-(methylami…

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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) 2.73 5.92 -44.4 3 5 1 62 303.411 3 ↓
Hi High (pH 8-9.5) 2.73 4.61 -8.14 2 5 0 57 302.403 3 ↓

Analogs

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Popular Name: 4-[5-(methylaminomethyl)thiazol-2-yl]-1,3-dihydroquinoxalin-2-one 4-[5-(methylaminomethyl)thiazol-…

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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) 1.95 4.9 -46.29 3 5 1 62 275.357 3 ↓
Hi High (pH 8-9.5) 1.95 3.46 -8.12 2 5 0 57 274.349 3 ↓

Analogs

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Popular Name: 4-[5-(ethylaminomethyl)thiazol-2-yl]-1,3-dihydroquinoxalin-2-one 4-[5-(ethylaminomethyl)thiazol-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) 2.33 5.76 -45.5 3 5 1 62 289.384 4 ↓
Hi High (pH 8-9.5) 2.33 4.38 -7.93 2 5 0 57 288.376 4 ↓

Analogs

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Popular Name: 4-[5-(propylaminomethyl)thiazol-2-yl]-1,3-dihydroquinoxalin-2-one 4-[5-(propylaminomethyl)thiazol-…

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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) 2.83 6.52 -46.29 3 5 1 62 303.411 5 ↓
Hi High (pH 8-9.5) 2.83 5.15 -7.8 2 5 0 57 302.403 5 ↓

Analogs

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Popular Name: 4-[5-[(isopropylamino)methyl]thiazol-2-yl]-1,3-dihydroquinoxalin-2-one 4-[5-[(isopropylamino)methyl]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) 2.62 6.3 -43.85 3 5 1 62 303.411 4 ↓
Hi High (pH 8-9.5) 2.62 5.08 -7.79 2 5 0 57 302.403 4 ↓

Analogs

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Popular Name: 4-[5-[(1S)-1-(methylamino)ethyl]thiazol-2-yl]-1,3-dihydroquinoxalin-2-one 4-[5-[(1S)-1-(methylamino)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) 2.51 5.41 -44.45 3 5 1 62 289.384 3 ↓
Hi High (pH 8-9.5) 2.51 4.1 -7.92 2 5 0 57 288.376 3 ↓

Analogs

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Popular Name: 4-[5-[(1R)-1-(methylamino)ethyl]thiazol-2-yl]-1,3-dihydroquinoxalin-2-one 4-[5-[(1R)-1-(methylamino)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) 2.51 5.41 -43.82 3 5 1 62 289.384 3 ↓
Hi High (pH 8-9.5) 2.51 4.14 -8.49 2 5 0 57 288.376 3 ↓

Analogs

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Popular Name: 4-[5-[(1S)-1-(ethylamino)ethyl]thiazol-2-yl]-1,3-dihydroquinoxalin-2-one 4-[5-[(1S)-1-(ethylamino)ethyl]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) 2.88 6.27 -43.18 3 5 1 62 303.411 4 ↓
Hi High (pH 8-9.5) 2.88 5.07 -8.21 2 5 0 57 302.403 4 ↓

Analogs

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Popular Name: 4-[5-[(1R)-1-(ethylamino)ethyl]thiazol-2-yl]-1,3-dihydroquinoxalin-2-one 4-[5-[(1R)-1-(ethylamino)ethyl]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) 2.88 6.26 -42.61 3 5 1 62 303.411 4 ↓
Hi High (pH 8-9.5) 2.88 5.04 -7.65 2 5 0 57 302.403 4 ↓

Analogs

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Popular Name: 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)thiazole-5-carboxylic 2-(3-oxo-2,4-dihydroquinoxalin-1…

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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) 1.96 5.59 -51.01 1 6 -1 85 274.281 2 ↓

Analogs

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Popular Name: 4-[5-[(1R)-1-hydroxyethyl]-4-methyl-thiazol-2-yl]-1,3-dihydroquinoxalin-2-one 4-[5-[(1R)-1-hydroxyethyl]-4-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) 2.18 3.59 -9.49 2 5 0 65 289.36 2 ↓

Analogs

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Popular Name: 4-[5-[(1S)-1-hydroxyethyl]-4-methyl-thiazol-2-yl]-1,3-dihydroquinoxalin-2-one 4-[5-[(1S)-1-hydroxyethyl]-4-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) 2.18 3.59 -9.37 2 5 0 65 289.36 2 ↓

Analogs

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Popular Name: 4-[5-(hydroxymethyl)thiazol-2-yl]-1,3-dihydroquinoxalin-2-one 4-[5-(hydroxymethyl)thiazol-2-yl…

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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 2.28 -10.67 2 5 0 65 261.306 2 ↓

Analogs

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Popular Name: 4-[5-[(1S)-1-hydroxyethyl]thiazol-2-yl]-1,3-dihydroquinoxalin-2-one 4-[5-[(1S)-1-hydroxyethyl]thiazo…

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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) 1.95 3.08 -10.23 2 5 0 65 275.333 2 ↓

Analogs

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Popular Name: 4-[5-[(1R)-1-hydroxyethyl]thiazol-2-yl]-1,3-dihydroquinoxalin-2-one 4-[5-[(1R)-1-hydroxyethyl]thiazo…

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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) 1.95 3.08 -10.11 2 5 0 65 275.333 2 ↓

Parameters Provided:

ring.id = 157544
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 = 157544 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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