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ZINC Item

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65319466

Analogs

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Popular Name: 2-[6-methyl-7-oxo-2-(1-piperidyl)thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-phenyl-acetamide 2-[6-methyl-7-oxo-2-(1-piperidyl…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.13	9.78	-16.63	1	7	0	80	415.544	5	↓ MOL2 SDF SMILES Flexibase

65319467

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-2-[6-methyl-7-oxo-2-(1-piperidyl)thiazolo[4,5-d]pyrimidin-5-yl]sulfany N-(3-chloro-4-methoxy-phenyl)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.80	9.62	-20.16	1	8	0	89	480.015	6	↓ MOL2 SDF SMILES Flexibase

65319468

Analogs

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Popular Name: N-(4-chlorophenyl)-2-[6-methyl-7-oxo-2-(1-piperidyl)thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acetamide N-(4-chlorophenyl)-2-[6-methyl-7…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.81	10.3	-16.66	1	7	0	80	449.989	5	↓ MOL2 SDF SMILES Flexibase

65319469

Analogs

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Popular Name: N-(2,4-dimethylphenyl)-2-[6-methyl-7-oxo-2-(1-piperidyl)thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-aceta N-(2,4-dimethylphenyl)-2-[6-meth…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.96	11.34	-16.6	1	7	0	80	443.598	5	↓ MOL2 SDF SMILES Flexibase

65319470

Analogs

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Popular Name: N-(3,5-dimethylphenyl)-2-[6-methyl-7-oxo-2-(1-piperidyl)thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-aceta N-(3,5-dimethylphenyl)-2-[6-meth…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.96	11.11	-16.72	1	7	0	80	443.598	5	↓ MOL2 SDF SMILES Flexibase

65319471

Analogs

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Popular Name: N-(3,5-dimethoxyphenyl)-2-[6-methyl-7-oxo-2-(1-piperidyl)thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acet N-(3,5-dimethoxyphenyl)-2-[6-met…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.17	8.39	-19.39	1	9	0	99	475.596	7	↓ MOL2 SDF SMILES Flexibase

65319472

Analogs

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Popular Name: N-(4-ethoxyphenyl)-2-[6-methyl-7-oxo-2-(1-piperidyl)thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acetamide N-(4-ethoxyphenyl)-2-[6-methyl-7…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.57	10.01	-17.58	1	8	0	89	459.597	7	↓ MOL2 SDF SMILES Flexibase

65319473

Analogs

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Popular Name: ethyl ethyl

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.68	11.36	-19.56	1	9	0	106	487.607	8	↓ MOL2 SDF SMILES Flexibase

65319476

Analogs

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Popular Name: N-(4-methoxyphenyl)-2-[6-methyl-7-oxo-2-(1-piperidyl)thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acetamid N-(4-methoxyphenyl)-2-[6-methyl-…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.19	9.07	-17.66	1	8	0	89	445.57	6	↓ MOL2 SDF SMILES Flexibase

65319477

Analogs

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Popular Name: N-(3-fluoro-4-methyl-phenyl)-2-[6-methyl-7-oxo-2-(1-piperidyl)thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl N-(3-fluoro-4-methyl-phenyl)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.67	10.49	-16.48	1	7	0	80	447.561	5	↓ MOL2 SDF SMILES Flexibase

65319478

Analogs

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Popular Name: N-(3-methoxyphenyl)-2-[6-methyl-7-oxo-2-(1-piperidyl)thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acetamid N-(3-methoxyphenyl)-2-[6-methyl-…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.17	9.08	-19.48	1	8	0	89	445.57	6	↓ MOL2 SDF SMILES Flexibase

65319479

Analogs

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Popular Name: N-(4-bromophenyl)-2-[6-methyl-7-oxo-2-(1-piperidyl)thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acetamide N-(4-bromophenyl)-2-[6-methyl-7-…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.94	10.41	-16.63	1	7	0	80	494.44	5	↓ MOL2 SDF SMILES Flexibase

65319480

Analogs

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Popular Name: N-(4-ethylphenyl)-2-[6-methyl-7-oxo-2-(1-piperidyl)thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acetamide N-(4-ethylphenyl)-2-[6-methyl-7-…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.05	11.22	-16.57	1	7	0	80	443.598	6	↓ MOL2 SDF SMILES Flexibase

65319481

Analogs

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Popular Name: N-(5-fluoro-2-methyl-phenyl)-2-[6-methyl-7-oxo-2-(1-piperidyl)thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl N-(5-fluoro-2-methyl-phenyl)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.67	10.74	-18.5	1	7	0	80	447.561	5	↓ MOL2 SDF SMILES Flexibase

65319482

Analogs

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Popular Name: N-(4-fluorophenyl)-2-[6-methyl-7-oxo-2-(1-piperidyl)thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acetamide N-(4-fluorophenyl)-2-[6-methyl-7…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.30	9.84	-17.3	1	7	0	80	433.534	5	↓ MOL2 SDF SMILES Flexibase

65319483

Analogs

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Popular Name: N-(3-chloro-4-methyl-phenyl)-2-[6-methyl-7-oxo-2-(1-piperidyl)thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl N-(3-chloro-4-methyl-phenyl)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.19	10.89	-15.99	1	7	0	80	464.016	5	↓ MOL2 SDF SMILES Flexibase

65319484

Analogs

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Popular Name: N-(3-ethylphenyl)-2-[6-methyl-7-oxo-2-(1-piperidyl)thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acetamide N-(3-ethylphenyl)-2-[6-methyl-7-…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.03	11.22	-16.39	1	7	0	80	443.598	6	↓ MOL2 SDF SMILES Flexibase

65319486

Analogs

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Popular Name: 2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-phenyl-acetamide 2-[7-oxo-2-(1-piperidyl)-6-propy…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.01	11.47	-16.19	1	7	0	80	443.598	7	↓ MOL2 SDF SMILES Flexibase

65319487

Analogs

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Popular Name: N-(2-chlorophenyl)-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acetamid N-(2-chlorophenyl)-2-[7-oxo-2-(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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.64	12.11	-14.83	1	7	0	80	478.043	7	↓ MOL2 SDF SMILES Flexibase

65319488

Analogs

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Popular Name: N-(4-chlorophenyl)-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acetamid N-(4-chlorophenyl)-2-[7-oxo-2-(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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.69	11.99	-16.25	1	7	0	80	478.043	7	↓ MOL2 SDF SMILES Flexibase

65319489

Analogs

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Popular Name: N-(5-chloro-2-methyl-phenyl)-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfany N-(5-chloro-2-methyl-phenyl)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.07	12.83	-17.16	1	7	0	80	492.07	7	↓ MOL2 SDF SMILES Flexibase

65319490

Analogs

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Popular Name: N-(2,4-dimethylphenyl)-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acet N-(2,4-dimethylphenyl)-2-[7-oxo-…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.84	12.99	-16.19	1	7	0	80	471.652	7	↓ MOL2 SDF SMILES Flexibase

65319491

Analogs

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Popular Name: N-(2,4-difluorophenyl)-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acet N-(2,4-difluorophenyl)-2-[7-oxo-…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.27	11.63	-14.7	1	7	0	80	479.578	7	↓ MOL2 SDF SMILES Flexibase

65319492

Analogs

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Popular Name: N-(2-fluorophenyl)-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acetamid N-(2-fluorophenyl)-2-[7-oxo-2-(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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.13	11.58	-15.41	1	7	0	80	461.588	7	↓ MOL2 SDF SMILES Flexibase

65319493

Analogs

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Popular Name: N-(3,5-dimethylphenyl)-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acet N-(3,5-dimethylphenyl)-2-[7-oxo-…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.84	12.82	-16.24	1	7	0	80	471.652	7	↓ MOL2 SDF SMILES Flexibase

65319494

Analogs

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Popular Name: N-(3-fluorophenyl)-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acetamid N-(3-fluorophenyl)-2-[7-oxo-2-(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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.15	11.54	-18.41	1	7	0	80	461.588	7	↓ MOL2 SDF SMILES Flexibase

65319495

Analogs

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Popular Name: N-(4-ethoxyphenyl)-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acetamid N-(4-ethoxyphenyl)-2-[7-oxo-2-(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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.45	11.7	-17.08	1	8	0	89	487.651	9	↓ MOL2 SDF SMILES Flexibase

65319496

Analogs

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Popular Name: N-(2-ethylphenyl)-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acetamide N-(2-ethylphenyl)-2-[7-oxo-2-(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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.88	13.1	-15.65	1	7	0	80	471.652	8	↓ MOL2 SDF SMILES Flexibase

65319498

Analogs

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Popular Name: N-(2-methoxy-5-methyl-phenyl)-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfan N-(2-methoxy-5-methyl-phenyl)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.45	11.56	-16.26	1	8	0	89	487.651	8	↓ MOL2 SDF SMILES Flexibase

65319499

Analogs

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Popular Name: N-(4-acetylphenyl)-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acetamid N-(4-acetylphenyl)-2-[7-oxo-2-(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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.91	11.89	-19.56	1	8	0	97	485.635	8	↓ MOL2 SDF SMILES Flexibase

65319500

Analogs

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Popular Name: N-(2,5-difluorophenyl)-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acet N-(2,5-difluorophenyl)-2-[7-oxo-…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.27	11.65	-15.88	1	7	0	80	479.578	7	↓ MOL2 SDF SMILES Flexibase

65319501

Analogs

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Popular Name: N-(o-tolyl)-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acetamide N-(o-tolyl)-2-[7-oxo-2-(1-piperi…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.41	12.32	-16.1	1	7	0	80	457.625	7	↓ MOL2 SDF SMILES Flexibase

65319502

Analogs

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Popular Name: N-(3,4-dimethylphenyl)-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acet N-(3,4-dimethylphenyl)-2-[7-oxo-…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.84	12.68	-16.41	1	7	0	80	471.652	7	↓ MOL2 SDF SMILES Flexibase

65319503

Analogs

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Popular Name: N-(3,4-difluorophenyl)-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acet N-(3,4-difluorophenyl)-2-[7-oxo-…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.27	11.59	-19.76	1	7	0	80	479.578	7	↓ MOL2 SDF SMILES Flexibase

65319504

Analogs

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Popular Name: N-(4-methoxyphenyl)-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acetami N-(4-methoxyphenyl)-2-[7-oxo-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.07	10.76	-17.23	1	8	0	89	473.624	8	↓ MOL2 SDF SMILES Flexibase

65319505

Analogs

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Popular Name: N-(3-fluoro-4-methyl-phenyl)-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfany N-(3-fluoro-4-methyl-phenyl)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.55	12.18	-18.55	1	7	0	80	475.615	7	↓ MOL2 SDF SMILES Flexibase

65319506

Analogs

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Popular Name: 2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(p-tolyl)acetamide 2-[7-oxo-2-(1-piperidyl)-6-propy…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.46	12.15	-16.22	1	7	0	80	457.625	7	↓ MOL2 SDF SMILES Flexibase

65319507

Analogs

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Popular Name: N-(3-methylsulfanylphenyl)-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl- N-(3-methylsulfanylphenyl)-2-[7-…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.42	12.5	-18.58	1	7	0	80	489.692	8	↓ MOL2 SDF SMILES Flexibase

65319508

Analogs

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Popular Name: N-(3-methoxyphenyl)-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acetami N-(3-methoxyphenyl)-2-[7-oxo-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.04	10.77	-18.92	1	8	0	89	473.624	8	↓ MOL2 SDF SMILES Flexibase

65319509

Analogs

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Popular Name: N-(2-chloro-4-fluoro-phenyl)-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfany N-(2-chloro-4-fluoro-phenyl)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.78	12.17	-14.43	1	7	0	80	496.033	7	↓ MOL2 SDF SMILES Flexibase

65319510

Analogs

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Popular Name: N-(2,6-dimethylphenyl)-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acet N-(2,6-dimethylphenyl)-2-[7-oxo-…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.88	13.09	-15.86	1	7	0	80	471.652	7	↓ MOL2 SDF SMILES Flexibase

65319511

Analogs

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Popular Name: N-(5-fluoro-2-methyl-phenyl)-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfany N-(5-fluoro-2-methyl-phenyl)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.55	12.39	-18.05	1	7	0	80	475.615	7	↓ MOL2 SDF SMILES Flexibase

65319512

Analogs

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Popular Name: N-(4-fluorophenyl)-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acetamid N-(4-fluorophenyl)-2-[7-oxo-2-(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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.18	11.53	-16.82	1	7	0	80	461.588	7	↓ MOL2 SDF SMILES Flexibase

65319513

Analogs

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Popular Name: N-(3-chloro-4-methyl-phenyl)-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfany N-(3-chloro-4-methyl-phenyl)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.07	12.58	-17.5	1	7	0	80	492.07	7	↓ MOL2 SDF SMILES Flexibase

65319514

Analogs

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Popular Name: 2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(2,4,6-trimethylphenyl)ac 2-[7-oxo-2-(1-piperidyl)-6-propy…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.28	13.75	-15.93	1	7	0	80	485.679	7	↓ MOL2 SDF SMILES Flexibase

65319515

Analogs

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Popular Name: N-(2-methoxyphenyl)-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acetami N-(2-methoxyphenyl)-2-[7-oxo-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.02	10.88	-16.16	1	8	0	89	473.624	8	↓ MOL2 SDF SMILES Flexibase

65319516

Analogs

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Popular Name: N-(2-chloro-4-methyl-phenyl)-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfany N-(2-chloro-4-methyl-phenyl)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.07	12.77	-14.67	1	7	0	80	492.07	7	↓ MOL2 SDF SMILES Flexibase

65319517

Analogs

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Popular Name: N-(3-ethylphenyl)-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acetamide N-(3-ethylphenyl)-2-[7-oxo-2-(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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.90	12.91	-15.85	1	7	0	80	471.652	8	↓ MOL2 SDF SMILES Flexibase

65319533

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-fluoro-phenyl)-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfany N-(3-chloro-4-fluoro-phenyl)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.78	12.04	-18.65	1	7	0	80	496.033	7	↓ MOL2 SDF SMILES Flexibase

65319535

Analogs

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Popular Name: N-(2-ethoxyphenyl)-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acetamid N-(2-ethoxyphenyl)-2-[7-oxo-2-(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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.40	11.82	-15.93	1	8	0	89	487.651	9	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 389148
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 = 389148 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "389148"        

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