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Popular Name: 1-(3-methylpyrazol-1-yl)isoquinoline-3-carboxylic 1-(3-methylpyrazol-1-yl)isoquino…

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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) 2.57 8.58 -56.76 0 5 -1 71 252.253 2 ↓

Analogs

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Popular Name: 1-(3-isopropylpyrazol-1-yl)isoquinoline-3-carboxylic 1-(3-isopropylpyrazol-1-yl)isoqu…

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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) 3.63 9.85 -55.99 0 5 -1 71 280.307 3 ↓

Analogs

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Popular Name: [1-(3-methylpyrazol-1-yl)-3-isoquinolyl]methanol [1-(3-methylpyrazol-1-yl)-3-isoq…

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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) 2.34 5.45 -10.08 1 4 0 51 239.278 2 ↓

Analogs

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Popular Name: [1-(3-isopropylpyrazol-1-yl)-3-isoquinolyl]methanol [1-(3-isopropylpyrazol-1-yl)-3-i…

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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 6.72 -9.53 1 4 0 51 267.332 3 ↓

Analogs

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Popular Name: 3-(chloromethyl)-1-(3-methylpyrazol-1-yl)isoquinoline 3-(chloromethyl)-1-(3-methylpyra…

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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) 3.57 9.19 -9.96 0 3 0 31 257.724 2 ↓

Analogs

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Popular Name: 3-(chloromethyl)-1-(3-isopropylpyrazol-1-yl)isoquinoline 3-(chloromethyl)-1-(3-isopropylp…

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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) 4.63 10.46 -9.44 0 3 0 31 285.778 3 ↓

Analogs

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Popular Name: [1-(3-methylpyrazol-1-yl)-3-isoquinolyl]methanamine [1-(3-methylpyrazol-1-yl)-3-isoq…

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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 5.95 -50.56 3 4 1 58 239.302 2 ↓
Mid Mid (pH 6-8) 2.18 5.55 -10.4 2 4 0 57 238.294 2 ↓

Analogs

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Popular Name: N-methyl-1-[1-(3-methylpyrazol-1-yl)-3-isoquinolyl]methanamine N-methyl-1-[1-(3-methylpyrazol-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) 2.56 7.83 -44.86 2 4 1 47 253.329 3 ↓
Hi High (pH 8-9.5) 2.56 6.38 -9.82 1 4 0 43 252.321 3 ↓

Analogs

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Popular Name: N-[[1-(3-methylpyrazol-1-yl)-3-isoquinolyl]methyl]ethanamine N-[[1-(3-methylpyrazol-1-yl)-3-i…

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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 8.68 -44.07 2 4 1 47 267.356 4 ↓
Hi High (pH 8-9.5) 2.93 7.32 -8.38 1 4 0 43 266.348 4 ↓

Analogs

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Popular Name: N-[[1-(3-methylpyrazol-1-yl)-3-isoquinolyl]methyl]propan-1-amine N-[[1-(3-methylpyrazol-1-yl)-3-i…

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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) 3.44 9.44 -44.85 2 4 1 47 281.383 5 ↓
Hi High (pH 8-9.5) 3.44 8.08 -8.26 1 4 0 43 280.375 5 ↓

Analogs

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Popular Name: N-[[1-(3-methylpyrazol-1-yl)-3-isoquinolyl]methyl]propan-2-amine N-[[1-(3-methylpyrazol-1-yl)-3-i…

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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 9.22 -42.61 2 4 1 47 281.383 4 ↓
Hi High (pH 8-9.5) 3.23 7.99 -9.51 1 4 0 43 280.375 4 ↓

Analogs

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Popular Name: [1-(3-isopropylpyrazol-1-yl)-3-isoquinolyl]methanamine [1-(3-isopropylpyrazol-1-yl)-3-i…

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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) 3.24 7.22 -50.08 3 4 1 58 267.356 3 ↓
Mid Mid (pH 6-8) 3.24 6.82 -8.41 2 4 0 57 266.348 3 ↓

Analogs

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Popular Name: 1-[1-(3-isopropylpyrazol-1-yl)-3-isoquinolyl]-N-methyl-methanamine 1-[1-(3-isopropylpyrazol-1-yl)-3…

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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) 3.61 9.09 -44.52 2 4 1 47 281.383 4 ↓
Hi High (pH 8-9.5) 3.61 7.65 -9.28 1 4 0 43 280.375 4 ↓

Analogs

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Popular Name: 1-(3-carbamoylpyrazol-1-yl)isoquinoline-3-carboxylic 1-(3-carbamoylpyrazol-1-yl)isoqu…

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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 4.75 -54.99 2 7 -1 114 281.251 3 ↓

Analogs

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Popular Name: 1-(4-carbamoylpyrazol-1-yl)isoquinoline-3-carboxylic 1-(4-carbamoylpyrazol-1-yl)isoqu…

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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) 1.10 4.77 -64.45 2 7 -1 114 281.251 3 ↓

Parameters Provided:

ring.id = 28565
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 = 28565 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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