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Analogs

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Popular Name: (4E)-2-[(2S)-2,3-dihydro-1,3-benzothiazol-2-yl]-4-[[2-(1H-imidazol-5-yl)ethylamino]methylene]-5-(tri (4E)-2-[(2S)-2,3-dihydro-1,3-ben…

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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) 2.39 7.4 -52.41 4 7 1 89 409.417 6 ↓
Mid Mid (pH 6-8) 2.39 6.94 -15.65 3 7 0 88 408.409 6 ↓

Analogs

39702846
39702846

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Popular Name: (4Z)-2-[(2S)-2,3-dihydro-1,3-benzothiazol-2-yl]-4-[[2-(1H-imidazol-5-yl)ethylamino]methylene]-5-meth (4Z)-2-[(2S)-2,3-dihydro-1,3-ben…

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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) 1.48 6.86 -55.22 4 7 1 89 355.447 5 ↓
Mid Mid (pH 6-8) 1.48 6.4 -19.75 3 7 0 88 354.439 5 ↓

Analogs

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Popular Name: (2R)-2-[[(1E)-1-[1-[(2S)-2,3-dihydro-1,3-benzothiazol-2-yl]-3-methyl-5-oxo-pyrazol-4-ylidene]ethyl]a (2R)-2-[[(1E)-1-[1-[(2S)-2,3-dih…

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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) -0.30 8.17 -63.63 4 9 0 129 412.475 6 ↓
Mid Mid (pH 6-8) -0.30 8.05 -50.18 3 9 -1 128 411.467 6 ↓

Analogs

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Popular Name: [(2R)-3-methyl-2H-1,3-benzothiazol-2-yl]thiourea [(2R)-3-methyl-2H-1,3-benzothiaz…

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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) 1.85 4.2 -13.44 3 3 0 41 225.342 2 ↓

Analogs

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Popular Name: [(2S)-3-methyl-2H-1,3-benzothiazol-2-yl]thiourea [(2S)-3-methyl-2H-1,3-benzothiaz…

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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) 1.85 4.15 -13.32 3 3 0 41 225.342 2 ↓

Analogs

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Popular Name: (4R)-N-[4-[(2S)-2,3-dihydro-1,3-benzothiazol-2-yl]-2-methyl-phenyl]-4H-imidazole-4-sulfonamide (4R)-N-[4-[(2S)-2,3-dihydro-1,3-…

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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) 3.03 6.24 -48.71 3 6 0 90 372.475 4 ↓
Mid Mid (pH 6-8) 3.03 5.72 -55.4 2 6 -1 89 371.467 4 ↓

Analogs

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Popular Name: (4R)-N-[4-[(2R)-6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl]phenyl]-4H-imidazole-4-sulfonamide (4R)-N-[4-[(2R)-6-methoxy-2,3-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) 2.69 4.76 -48.7 3 7 0 99 388.474 5 ↓
Mid Mid (pH 6-8) 2.69 4.26 -55.16 2 7 -1 98 387.466 5 ↓

Analogs

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Popular Name: (4R)-N-[4-[(2S)-6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl]phenyl]-4H-imidazole-4-sulfonamide (4R)-N-[4-[(2S)-6-methoxy-2,3-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) 2.69 4.76 -48.72 3 7 0 99 388.474 5 ↓
Mid Mid (pH 6-8) 2.69 4.26 -54.65 2 7 -1 98 387.466 5 ↓

Analogs

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Popular Name: (3R)-N-[(2S)-6-methyl-2,3-dihydro-1,3-benzothiazol-2-yl]-1-[2-(5-methyl-2H-indol-3-yl)ethyl]-5-oxo-p (3R)-N-[(2S)-6-methyl-2,3-dihydr…

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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 8.35 -41.11 3 6 1 75 435.573 5 ↓

Analogs

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Popular Name: (2S)-N-[2-[[(1S)-2-(2H-indol-3-yl)-1-methyl-ethyl]amino]-2-oxo-ethyl]-2-pyrrol-1-yl-2,3-dihydro-1,3- (2S)-N-[2-[[(1S)-2-(2H-indol-3-y…

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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) 3.53 8.73 -43.28 4 7 1 89 460.583 7 ↓

Analogs

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Popular Name: (2S)-N-[2-[[(1R)-2-(2H-indol-3-yl)-1-methyl-ethyl]amino]-2-oxo-ethyl]-2-pyrrol-1-yl-2,3-dihydro-1,3- (2S)-N-[2-[[(1R)-2-(2H-indol-3-y…

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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) 3.53 8.57 -42.12 4 7 1 89 460.583 7 ↓

Analogs

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Popular Name: (4E)-2-[(2R)-2,3-dihydro-1,3-benzothiazol-2-yl]-4-[1-[2-(2H-indol-3-yl)ethylamino]ethylidene]-5-(tri (4E)-2-[(2R)-2,3-dihydro-1,3-ben…

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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) 4.76 9.36 -14.45 3 6 0 75 471.508 6 ↓

Parameters Provided:

ring.id = 1268
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 = 1268 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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