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Popular Name: 2-[3-[(3-bromophenoxy)methyl]phenyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[3-[(3-bromophenoxy)methyl]phe…

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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) 5.70 13.83 -11.56 0 5 0 52 431.293 4 ↓

Analogs

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Popular Name: 2-[3-[(4-chlorophenoxy)methyl]phenyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[3-[(4-chlorophenoxy)methyl]ph…

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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) 5.59 0.83 -11.71 0 5 0 52 386.842 4 ↓

Analogs

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Popular Name: 2-[3-[(3-methoxyphenoxy)methyl]phenyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[3-[(3-methoxyphenoxy)methyl]p…

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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) 4.95 1 -14.26 0 6 0 61 382.423 5 ↓

Analogs

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Popular Name: 2-[3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[3-[(3-methyl-4-nitro-phenoxy)…

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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) 5.25 14.52 -15.31 0 8 0 98 411.421 5 ↓

Analogs

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Popular Name: 2-[3-[(2,4-difluorophenoxy)methyl]phenyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[3-[(2,4-difluorophenoxy)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) 5.17 2.45 -14.06 0 5 0 52 388.377 4 ↓

Analogs

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Popular Name: 2-[3-[(4-ethoxyphenoxy)methyl]phenyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[3-[(4-ethoxyphenoxy)methyl]ph…

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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) 5.35 13.43 -13.02 0 6 0 62 396.45 6 ↓

Analogs

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Popular Name: 2-[3-[(2-chlorophenoxy)methyl]phenyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[3-[(2-chlorophenoxy)methyl]ph…

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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) 5.54 0.88 -13.4 0 5 0 52 386.842 4 ↓

Analogs

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Popular Name: 2-[3-[(4-nitrophenoxy)methyl]phenyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[3-[(4-nitrophenoxy)methyl]phe…

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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) 4.87 1.5 -15.61 0 8 0 98 397.394 5 ↓

Analogs

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Popular Name: 4-[3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)benzyl]oxybenzonitrile 4-[3-([1,2,4]triazolo[1,5-c]quin…

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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) 4.67 2.37 -14.62 0 6 0 76 377.407 4 ↓

Analogs

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Popular Name: 2-[3-[(2,4-dimethylphenoxy)methyl]phenyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[3-[(2,4-dimethylphenoxy)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) 5.74 1.71 -12.06 0 5 0 52 380.451 4 ↓

Analogs

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Popular Name: 2-[3-[(3-chlorophenoxy)methyl]phenyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[3-[(3-chlorophenoxy)methyl]ph…

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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) 5.57 0.83 -11.62 0 5 0 52 386.842 4 ↓

Analogs

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Popular Name: 2-[3-[(2-methoxyphenoxy)methyl]phenyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[3-[(2-methoxyphenoxy)methyl]p…

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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) 4.53 13.11 -14.93 0 6 0 62 382.423 5 ↓

Analogs

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Popular Name: 2-[3-[(4-bromophenoxy)methyl]-4-methoxy-phenyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[3-[(4-bromophenoxy)methyl]-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) 5.73 13.3 -11.88 0 6 0 62 461.319 5 ↓

Analogs

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Popular Name: 2-[3-[(4-methyl-2-nitro-phenoxy)methyl]phenyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[3-[(4-methyl-2-nitro-phenoxy)…

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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) 5.25 15.31 -20.01 0 8 0 98 411.421 5 ↓

Parameters Provided:

ring.id = 243592
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 = 243592 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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