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Analogs

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Popular Name: 1-(2,1-benzothiazol-3-yl)piperidin-4-ol 1-(2,1-benzothiazol-3-yl)piperid…

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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) 1.62 3.79 -7.4 1 3 0 36 234.324 1 ↓

Analogs

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Popular Name: 1-(2,1-benzothiazol-3-yl)-N-cyclopropyl-piperidine-4-carboxamide 1-(2,1-benzothiazol-3-yl)-N-cycl…

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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) 2.84 6.99 -12.3 1 4 0 45 301.415 3 ↓

Analogs

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Popular Name: [1-(2,1-benzothiazol-3-yl)-4-piperidyl]-[(3R)-3-methyl-1-piperidyl]methanone [1-(2,1-benzothiazol-3-yl)-4-pip…

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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) 3.87 9.71 -12.93 0 4 0 36 343.496 2 ↓

Analogs

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Popular Name: [1-(2,1-benzothiazol-3-yl)-4-piperidyl]-[(3S)-3-methyl-1-piperidyl]methanone [1-(2,1-benzothiazol-3-yl)-4-pip…

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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) 3.87 9.67 -12.87 0 4 0 36 343.496 2 ↓

Analogs

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Popular Name: [4-(2,1-benzothiazol-3-yl)piperazin-1-yl]-(3-thienyl)methanone [4-(2,1-benzothiazol-3-yl)pipera…

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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) 2.64 7.72 -11.78 0 4 0 36 329.45 2 ↓

Analogs

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Popular Name: 1-(2,1-benzothiazol-3-yl)-N,N-diethyl-piperidine-4-carboxamide 1-(2,1-benzothiazol-3-yl)-N,N-di…

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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) 3.47 8.92 -12.65 0 4 0 36 317.458 4 ↓

Analogs

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Popular Name: (3S)-1-(2,1-benzothiazol-3-yl)-N-cyclopropyl-piperidine-3-carboxamide (3S)-1-(2,1-benzothiazol-3-yl)-N…

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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) 2.84 6.96 -10.53 1 4 0 45 301.415 3 ↓

Analogs

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Popular Name: (3R)-1-(2,1-benzothiazol-3-yl)-N-cyclopropyl-piperidine-3-carboxamide (3R)-1-(2,1-benzothiazol-3-yl)-N…

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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) 2.84 6.99 -10.55 1 4 0 45 301.415 3 ↓

Analogs

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Popular Name: 1-(2,1-benzothiazol-3-yl)-N-(2-pyridyl)piperidine-4-carboxamide 1-(2,1-benzothiazol-3-yl)-N-(2-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) 3.27 8.68 -17.68 1 5 0 58 338.436 3 ↓

Analogs

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Popular Name: 5-[[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole 5-[[4-(2,1-benzothiazol-3-yl)pip…

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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) 1.97 3.85 -10.61 0 6 0 58 315.402 3 ↓
Mid Mid (pH 6-8) 1.97 6.07 -52.94 1 6 1 59 316.41 3 ↓

Analogs

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Popular Name: 2-[1-(2,1-benzothiazol-3-yl)-4-piperidyl]acetamide 2-[1-(2,1-benzothiazol-3-yl)-4-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) 2.56 4.51 -10.58 2 4 0 59 275.377 3 ↓

Analogs

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Popular Name: N-[[1-(2,1-benzothiazol-3-yl)-4-piperidyl]methyl]acetamide N-[[1-(2,1-benzothiazol-3-yl)-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) 2.52 6.18 -13.15 1 4 0 45 289.404 3 ↓

Analogs

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Popular Name: 1-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]-2-methoxy-ethanone 1-[4-(2,1-benzothiazol-3-yl)pipe…

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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) 1.79 6.18 -14.06 0 5 0 46 291.376 3 ↓

Analogs

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Popular Name: [4-(2,1-benzothiazol-3-yl)piperazin-1-yl]-pyrazin-2-yl-methanone [4-(2,1-benzothiazol-3-yl)pipera…

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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) 2.05 5.92 -11.78 0 6 0 62 325.397 2 ↓

Analogs

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Popular Name: N-[1-(2,1-benzothiazol-3-yl)-4-piperidyl]thiophene-2-carboxamide N-[1-(2,1-benzothiazol-3-yl)-4-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) 3.70 7.56 -11.06 1 4 0 45 343.477 3 ↓

Analogs

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Popular Name: [4-(2,1-benzothiazol-3-yl)piperazin-1-yl]-(5-methyl-2-furyl)methanone [4-(2,1-benzothiazol-3-yl)pipera…

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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) 3.00 7.91 -10.25 0 5 0 50 327.409 2 ↓

Analogs

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Popular Name: N-[1-(2,1-benzothiazol-3-yl)-4-piperidyl]-2-methyl-furan-3-carboxamide N-[1-(2,1-benzothiazol-3-yl)-4-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) 2.97 7.37 -11.21 1 5 0 58 341.436 3 ↓

Analogs

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Popular Name: N-[1-(2,1-benzothiazol-3-yl)-4-piperidyl]-5-methyl-furan-2-carboxamide N-[1-(2,1-benzothiazol-3-yl)-4-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) 3.28 7.41 -10.66 1 5 0 58 341.436 3 ↓

Analogs

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Popular Name: N-[1-(2,1-benzothiazol-3-yl)-4-piperidyl]-3-methyl-furan-2-carboxamide N-[1-(2,1-benzothiazol-3-yl)-4-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) 3.44 7.27 -10.76 1 5 0 58 341.436 3 ↓

Analogs

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Popular Name: [4-(2,1-benzothiazol-3-yl)piperazin-1-yl]-cyclobutyl-methanone [4-(2,1-benzothiazol-3-yl)pipera…

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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) 2.85 8.02 -10.78 0 4 0 36 301.415 2 ↓

Analogs

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Popular Name: N-[1-(2,1-benzothiazol-3-yl)-4-piperidyl]cyclobutanecarboxamide N-[1-(2,1-benzothiazol-3-yl)-4-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) 3.14 7.54 -10.38 1 4 0 45 315.442 3 ↓

Analogs

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Popular Name: [4-(2,1-benzothiazol-3-yl)piperazin-1-yl]-(2-furyl)methanone [4-(2,1-benzothiazol-3-yl)pipera…

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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) 2.78 7.06 -10.86 0 5 0 50 313.382 2 ↓

Analogs

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Popular Name: N-[1-(2,1-benzothiazol-3-yl)-4-piperidyl]methanesulfonamide N-[1-(2,1-benzothiazol-3-yl)-4-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) 2.15 3.03 -14.98 1 5 0 62 311.432 3 ↓

Analogs

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Popular Name: 3-(4-pyrazin-2-ylpiperazin-1-yl)-2,1-benzothiazole 3-(4-pyrazin-2-ylpiperazin-1-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) 2.60 6.82 -8.93 0 5 0 45 297.387 2 ↓

Analogs

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Popular Name: 5-Bromobenzo[c]isothiazole 5-Bromobenzo[c]isothiazole

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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) 3.16 4.9 -4.96 0 1 0 13 214.087 0 ↓

Analogs

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Popular Name: N-(2,1-benzothiazol-3-yl)-3,5-dimethyl-isoxazole-4-sulfonamide N-(2,1-benzothiazol-3-yl)-3,5-di…

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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) 2.12 2.98 -36.19 0 6 -1 87 308.364 3 ↓
Lo Low (pH 4.5-6) 2.12 2.44 -13.19 1 6 0 85 309.372 3 ↓

Parameters Provided:

ring.id = 185857
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 = 185857 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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