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Popular Name: (4R)-4-(4-benzyloxyphenyl)-5-(2-morpholinoethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-4-(4-benzyloxyphenyl)-5-(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) 4.54 10.56 -12.97 1 7 0 71 494.595 8 ↓
Lo Low (pH 4.5-6) 4.54 12.84 -46.09 2 7 1 72 495.603 8 ↓

Analogs

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Popular Name: (4S)-4-(4-benzyloxyphenyl)-5-(2-morpholinoethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-4-(4-benzyloxyphenyl)-5-(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) 4.54 11.37 -13.88 1 7 0 71 494.595 8 ↓
Lo Low (pH 4.5-6) 4.54 13.64 -51.82 2 7 1 72 495.603 8 ↓

Analogs

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Popular Name: (4R)-4-(4-benzyloxy-3-methoxy-phenyl)-5-(2-morpholinoethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazo (4R)-4-(4-benzyloxy-3-methoxy-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) 4.13 10.4 -13.1 1 8 0 80 524.621 9 ↓
Lo Low (pH 4.5-6) 4.13 12.66 -48.86 2 8 1 81 525.629 9 ↓

Analogs

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Popular Name: (4S)-4-(4-benzyloxy-3-methoxy-phenyl)-5-(2-morpholinoethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazo (4S)-4-(4-benzyloxy-3-methoxy-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) 4.13 11.25 -15.12 1 8 0 80 524.621 9 ↓
Lo Low (pH 4.5-6) 4.13 13.53 -53.82 2 8 1 81 525.629 9 ↓

Analogs

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Popular Name: (4R)-4-[4-[(2-chlorophenyl)methoxy]phenyl]-5-(2-morpholinoethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]p (4R)-4-[4-[(2-chlorophenyl)metho…

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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 11.61 -11.35 1 7 0 71 529.04 8 ↓
Lo Low (pH 4.5-6) 5.17 13.88 -46.89 2 7 1 72 530.048 8 ↓

Analogs

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Popular Name: (4S)-4-[4-[(2-chlorophenyl)methoxy]phenyl]-5-(2-morpholinoethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]p (4S)-4-[4-[(2-chlorophenyl)metho…

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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 11.51 -12.7 1 7 0 71 529.04 8 ↓
Lo Low (pH 4.5-6) 5.17 13.78 -46 2 7 1 72 530.048 8 ↓

Analogs

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Popular Name: (4R)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-5-(2-morpholinoethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]p (4R)-4-[4-[(4-chlorophenyl)metho…

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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) 5.22 11.55 -13.15 1 7 0 71 529.04 8 ↓
Lo Low (pH 4.5-6) 5.22 13.82 -49.69 2 7 1 72 530.048 8 ↓

Analogs

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Popular Name: (4S)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-5-(2-morpholinoethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]p (4S)-4-[4-[(4-chlorophenyl)metho…

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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) 5.22 11.46 -14.31 1 7 0 71 529.04 8 ↓
Lo Low (pH 4.5-6) 5.22 13.73 -48.09 2 7 1 72 530.048 8 ↓

Analogs

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Popular Name: (4R)-4-(4-benzyloxyphenyl)-5-(2-morpholinoethyl)-3-(p-tolyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-4-(4-benzyloxyphenyl)-5-(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) 4.99 11.71 -12.5 1 7 0 71 508.622 8 ↓
Lo Low (pH 4.5-6) 4.99 13.98 -48.26 2 7 1 72 509.63 8 ↓

Analogs

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Popular Name: (4S)-4-(4-benzyloxyphenyl)-5-(2-morpholinoethyl)-3-(p-tolyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-4-(4-benzyloxyphenyl)-5-(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) 4.99 11.62 -13.92 1 7 0 71 508.622 8 ↓
Lo Low (pH 4.5-6) 4.99 13.88 -46.77 2 7 1 72 509.63 8 ↓

Analogs

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Popular Name: (4R)-4-(4-benzyloxyphenyl)-3-(4-chlorophenyl)-5-(2-morpholinoethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol (4R)-4-(4-benzyloxyphenyl)-3-(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) 5.22 11.08 -12.19 1 7 0 71 529.04 8 ↓
Lo Low (pH 4.5-6) 5.22 13.36 -46.29 2 7 1 72 530.048 8 ↓

Analogs

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Popular Name: (4S)-4-(4-benzyloxyphenyl)-3-(4-chlorophenyl)-5-(2-morpholinoethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol (4S)-4-(4-benzyloxyphenyl)-3-(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) 5.22 11.89 -13.41 1 7 0 71 529.04 8 ↓
Lo Low (pH 4.5-6) 5.22 14.16 -52.64 2 7 1 72 530.048 8 ↓

Analogs

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Popular Name: (4R)-4-(4-benzyloxyphenyl)-3-(4-methoxyphenyl)-5-(2-morpholinoethyl)-1,4-dihydropyrrolo[3,4-c]pyrazo (4R)-4-(4-benzyloxyphenyl)-3-(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) 4.59 10.33 -12.83 1 8 0 80 524.621 9 ↓
Lo Low (pH 4.5-6) 4.59 12.6 -48.86 2 8 1 81 525.629 9 ↓

Analogs

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Popular Name: (4S)-4-(4-benzyloxyphenyl)-3-(4-methoxyphenyl)-5-(2-morpholinoethyl)-1,4-dihydropyrrolo[3,4-c]pyrazo (4S)-4-(4-benzyloxyphenyl)-3-(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) 4.59 10.24 -14.33 1 8 0 80 524.621 9 ↓
Lo Low (pH 4.5-6) 4.59 12.5 -47.46 2 8 1 81 525.629 9 ↓

Parameters Provided:

ring.id = 20795
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 = 20795 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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