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Popular Name: (3Z)-8-bromo-3-[(2-methylpyrazol-3-yl)methylene]chroman-4-one (3Z)-8-bromo-3-[(2-methylpyrazol…

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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) 2.89 6.88 -11.8 0 4 0 44 319.158 1 ↓

Analogs

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Popular Name: (3E)-8-bromo-3-[(2-methylpyrazol-3-yl)methylene]chroman-4-one (3E)-8-bromo-3-[(2-methylpyrazol…

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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) 2.89 6.4 -8.09 0 4 0 44 319.158 1 ↓

Analogs

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Popular Name: (3E)-8-methyl-3-[(2-methylpyrazol-3-yl)methylene]chroman-4-one (3E)-8-methyl-3-[(2-methylpyrazo…

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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 6.57 -9.8 0 4 0 44 254.289 1 ↓

Analogs

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Popular Name: (3Z)-8-methyl-3-[(2-methylpyrazol-3-yl)methylene]chroman-4-one (3Z)-8-methyl-3-[(2-methylpyrazo…

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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 6.91 -12.58 0 4 0 44 254.289 1 ↓

Analogs

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Popular Name: (3Z)-8-methoxy-3-[(2-methylpyrazol-3-yl)methylene]chroman-4-one (3Z)-8-methoxy-3-[(2-methylpyraz…

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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 6.09 -13.71 0 5 0 53 270.288 2 ↓

Analogs

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Popular Name: (3E)-8-methoxy-3-[(2-methylpyrazol-3-yl)methylene]chroman-4-one (3E)-8-methoxy-3-[(2-methylpyraz…

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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 5.61 -10.15 0 5 0 53 270.288 2 ↓

Analogs

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Popular Name: (3E)-5,7-dimethyl-3-[(2-methylpyrazol-3-yl)methylene]chroman-4-one (3E)-5,7-dimethyl-3-[(2-methylpy…

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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) 2.93 7.17 -9.19 0 4 0 44 268.316 1 ↓

Analogs

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Popular Name: (3Z)-5,7-dimethyl-3-[(2-methylpyrazol-3-yl)methylene]chroman-4-one (3Z)-5,7-dimethyl-3-[(2-methylpy…

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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) 2.93 7.55 -11.45 0 4 0 44 268.316 1 ↓

Analogs

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Popular Name: (3Z)-7,8-dichloro-3-[(2-methylpyrazol-3-yl)methylene]chroman-4-one (3Z)-7,8-dichloro-3-[(2-methylpy…

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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 7.24 -11.21 0 4 0 44 309.152 1 ↓

Analogs

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Popular Name: (3E)-7,8-dichloro-3-[(2-methylpyrazol-3-yl)methylene]chroman-4-one (3E)-7,8-dichloro-3-[(2-methylpy…

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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 6.75 -7.4 0 4 0 44 309.152 1 ↓

Analogs

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Popular Name: (3Z)-5,8-dimethyl-3-[(2-methylpyrazol-3-yl)methylene]chroman-4-one (3Z)-5,8-dimethyl-3-[(2-methylpy…

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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) 2.93 7.61 -11.47 0 4 0 44 268.316 1 ↓

Analogs

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Popular Name: (3E)-5,8-dimethyl-3-[(2-methylpyrazol-3-yl)methylene]chroman-4-one (3E)-5,8-dimethyl-3-[(2-methylpy…

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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) 2.93 7.25 -9.28 0 4 0 44 268.316 1 ↓

Analogs

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Popular Name: (3E)-8-bromo-6-methyl-3-[(2-methylpyrazol-3-yl)methylene]chroman-4-one (3E)-8-bromo-6-methyl-3-[(2-meth…

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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) 3.29 7.15 -8.72 0 4 0 44 333.185 1 ↓

Analogs

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Popular Name: (3Z)-8-bromo-6-methyl-3-[(2-methylpyrazol-3-yl)methylene]chroman-4-one (3Z)-8-bromo-6-methyl-3-[(2-meth…

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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) 3.29 7.5 -11.43 0 4 0 44 333.185 1 ↓

Analogs

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Popular Name: (3Z)-6,8-dimethyl-3-[(2-methylpyrazol-3-yl)methylene]chroman-4-one (3Z)-6,8-dimethyl-3-[(2-methylpy…

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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) 2.93 7.58 -12.68 0 4 0 44 268.316 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3E)-6,8-dimethyl-3-[(2-methylpyrazol-3-yl)methylene]chroman-4-one (3E)-6,8-dimethyl-3-[(2-methylpy…

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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) 2.93 7.23 -9.74 0 4 0 44 268.316 1 ↓

Parameters Provided:

ring.id = 543470
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 = 543470 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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