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Popular Name: 2-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylamino)pyridine-4-carbonitrile 2-(5,6-dihydro-4H-cyclopenta[d]t…

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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) 2.76 7.56 -10.72 1 4 0 62 242.307 2 ↓

Analogs

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Popular Name: 6-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylamino)pyridine-3-carbonitrile 6-(5,6-dihydro-4H-cyclopenta[d]t…

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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) 2.81 7.58 -12.26 1 4 0 62 242.307 2 ↓

Analogs

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Popular Name: 2-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylamino)pyridine-3-carbonitrile 2-(5,6-dihydro-4H-cyclopenta[d]t…

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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) 2.76 7.61 -10.57 1 4 0 62 242.307 2 ↓

Analogs

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Popular Name: 2-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylamino)-4,6-dimethyl-pyridine-3-carbonitrile 2-(5,6-dihydro-4H-cyclopenta[d]t…

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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) 3.58 8.71 -10.15 1 4 0 62 270.361 2 ↓

Analogs

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Popular Name: 2-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylamino)pyridine-3-carbothioamide 2-(5,6-dihydro-4H-cyclopenta[d]t…

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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) 2.80 6.45 -16.05 3 4 0 64 276.39 3 ↓

Analogs

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Popular Name: 6-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylamino)pyridine-3-carbothioamide 6-(5,6-dihydro-4H-cyclopenta[d]t…

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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) 2.86 6.39 -16.44 3 4 0 64 276.39 3 ↓

Analogs

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Popular Name: 2-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylamino)pyridine-4-carbothioamide 2-(5,6-dihydro-4H-cyclopenta[d]t…

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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) 2.80 6.39 -17.16 3 4 0 64 276.39 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylamino)-4,6-dimethyl-pyridine-3-carbothioamide 2-(5,6-dihydro-4H-cyclopenta[d]t…

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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) 3.62 7.58 -16.17 3 4 0 64 304.444 3 ↓
Lo Low (pH 4.5-6) 3.62 8.13 -31.99 4 4 1 65 305.452 3 ↓

Analogs

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Popular Name: 2-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylamino)pyridine-4-carboxylic 2-(5,6-dihydro-4H-cyclopenta[d]t…

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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) 2.92 7.76 -49.21 1 5 -1 78 260.298 3 ↓

Analogs

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Popular Name: 5-chloro-6-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylamino)pyridine-3-carboxylic 5-chloro-6-(5,6-dihydro-4H-cyclo…

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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 8.31 -48.51 1 5 -1 78 294.743 3 ↓

Analogs

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Popular Name: 6-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylamino)pyridine-3-carboxylic 6-(5,6-dihydro-4H-cyclopenta[d]t…

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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) 2.63 7.73 -54.84 1 5 -1 78 260.298 3 ↓
Lo Low (pH 4.5-6) 2.63 7.97 -40.22 2 5 0 79 261.306 3 ↓

Analogs

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Popular Name: 2-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylamino)pyridine-3-carboxylic 2-(5,6-dihydro-4H-cyclopenta[d]t…

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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) 2.58 8 -49.69 1 5 -1 78 260.298 3 ↓
Lo Low (pH 4.5-6) 2.58 8.56 -34.1 2 5 0 79 261.306 3 ↓

Analogs

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Popular Name: 3-chloro-6-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylamino)pyridine-2-carboxylic 3-chloro-6-(5,6-dihydro-4H-cyclo…

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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) 3.71 8.12 -65.22 1 5 -1 78 294.743 3 ↓

Analogs

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Popular Name: 2-chloro-6-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylamino)pyridine-4-carboxylic 2-chloro-6-(5,6-dihydro-4H-cyclo…

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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) 3.94 8.17 -46.26 1 5 -1 78 294.743 3 ↓

Analogs

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Popular Name: 2-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylamino)-4,6-dimethyl-pyridine-3-carboxylic 2-(5,6-dihydro-4H-cyclopenta[d]t…

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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 9.14 -54.83 1 5 -1 78 288.352 3 ↓
Mid Mid (pH 6-8) 3.39 9.71 -35.35 2 5 0 79 289.36 3 ↓

Analogs

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Popular Name: N-(3-bromo-2-pyridyl)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-amine N-(3-bromo-2-pyridyl)-5,6-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) 3.81 7.9 -9.13 1 3 0 38 296.193 2 ↓

Analogs

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Popular Name: N-(5-bromo-2-pyridyl)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-amine N-(5-bromo-2-pyridyl)-5,6-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) 4.03 7.79 -9.94 1 3 0 38 296.193 2 ↓

Analogs

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Popular Name: N-(5-bromo-3-nitro-2-pyridyl)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-amine N-(5-bromo-3-nitro-2-pyridyl)-5,…

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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) 3.92 8.69 -7.51 1 6 0 84 341.19 3 ↓

Parameters Provided:

ring.id = 584480
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 584480 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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