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ZINC Item

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67226006

Analogs

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Popular Name: 2-[2-[(3R)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]a 2-[2-[(3R)-3-methyl-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)	3.33	11.28	-27.51	1	7	0	80	451.474	5	↓ MOL2 SDF SMILES Flexibase

67226009

Analogs

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Popular Name: 2-[2-[(3S)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]a 2-[2-[(3S)-3-methyl-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)	3.33	11.29	-27.26	1	7	0	80	451.474	5	↓ MOL2 SDF SMILES Flexibase

67226015

Analogs

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Popular Name: N-(4-ethoxyphenyl)-2-[2-[(3S)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(4-ethoxyphenyl)-2-[2-[(3S)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.89	10.48	-25.17	1	8	0	89	427.53	6	↓ MOL2 SDF SMILES Flexibase

67226018

Analogs

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Popular Name: N-(4-ethoxyphenyl)-2-[2-[(3R)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(4-ethoxyphenyl)-2-[2-[(3R)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.89	10.49	-25.39	1	8	0	89	427.53	6	↓ MOL2 SDF SMILES Flexibase

67226040

Analogs

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Popular Name: N-(3-methoxyphenyl)-2-[2-[(3R)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(3-methoxyphenyl)-2-[2-[(3R)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.49	9.57	-27.9	1	8	0	89	413.503	5	↓ MOL2 SDF SMILES Flexibase

67226042

Analogs

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Popular Name: N-(3-methoxyphenyl)-2-[2-[(3S)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(3-methoxyphenyl)-2-[2-[(3S)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.49	9.58	-27.71	1	8	0	89	413.503	5	↓ MOL2 SDF SMILES Flexibase

67226045

Analogs

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

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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)	3.37	11.69	-24.25	1	7	0	80	411.531	5	↓ MOL2 SDF SMILES Flexibase

67226048

Analogs

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

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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)	3.37	11.71	-24.38	1	7	0	80	411.531	5	↓ MOL2 SDF SMILES Flexibase

67226050

Analogs

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Popular Name: N-(2-chlorophenyl)-2-[2-[(3R)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(2-chlorophenyl)-2-[2-[(3R)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.09	10.9	-22.78	1	7	0	80	417.922	4	↓ MOL2 SDF SMILES Flexibase

67226052

Analogs

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Popular Name: N-(2-chlorophenyl)-2-[2-[(3S)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(2-chlorophenyl)-2-[2-[(3S)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.09	10.91	-22.6	1	7	0	80	417.922	4	↓ MOL2 SDF SMILES Flexibase

67226055

Analogs

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Popular Name: N-(2,4-dimethoxyphenyl)-2-[2-[(3R)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]acetami N-(2,4-dimethoxyphenyl)-2-[2-[(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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.50	8.96	-24.96	1	9	0	99	443.529	6	↓ MOL2 SDF SMILES Flexibase

67226060

Analogs

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Popular Name: N-(2,4-dimethoxyphenyl)-2-[2-[(3S)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]acetami N-(2,4-dimethoxyphenyl)-2-[2-[(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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.50	8.97	-24.77	1	9	0	99	443.529	6	↓ MOL2 SDF SMILES Flexibase

67226063

Analogs

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Popular Name: N-(3-chloro-4-methyl-phenyl)-2-[2-[(3S)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]ac 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)	3.51	11.36	-23.48	1	7	0	80	431.949	4	↓ MOL2 SDF SMILES Flexibase

67226065

Analogs

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Popular Name: N-(3-chloro-4-methyl-phenyl)-2-[2-[(3R)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]ac 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)	3.51	11.37	-23.63	1	7	0	80	431.949	4	↓ MOL2 SDF SMILES Flexibase

67226067

Analogs

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Popular Name: 2-[2-[(3R)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-[2-(trifluoromethyl)phenyl]a 2-[2-[(3R)-3-methyl-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)	3.30	11.52	-21.54	1	7	0	80	451.474	5	↓ MOL2 SDF SMILES Flexibase

67226069

Analogs

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Popular Name: 2-[2-[(3S)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-[2-(trifluoromethyl)phenyl]a 2-[2-[(3S)-3-methyl-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)	3.30	11.53	-21.44	1	7	0	80	451.474	5	↓ MOL2 SDF SMILES Flexibase

67226071

Analogs

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Popular Name: N-(2-methoxyphenyl)-2-[2-[(3R)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(2-methoxyphenyl)-2-[2-[(3R)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.47	9.68	-24.44	1	8	0	89	413.503	5	↓ MOL2 SDF SMILES Flexibase

67226074

Analogs

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Popular Name: N-(2-methoxyphenyl)-2-[2-[(3S)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(2-methoxyphenyl)-2-[2-[(3S)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.47	9.68	-24.29	1	8	0	89	413.503	5	↓ MOL2 SDF SMILES Flexibase

67226076

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)	3.00	11.84	-27.17	1	9	0	106	455.54	7	↓ MOL2 SDF SMILES Flexibase

67226078

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)	3.00	11.85	-27.4	1	9	0	106	455.54	7	↓ MOL2 SDF SMILES Flexibase

67226081

Analogs

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Popular Name: N-ethyl-2-[2-[(3S)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(m-tolyl)acetamide N-ethyl-2-[2-[(3S)-3-methyl-1-pi…

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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)	3.50	13.44	-23.63	0	7	0	71	425.558	5	↓ MOL2 SDF SMILES Flexibase

67226084

Analogs

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Popular Name: N-ethyl-2-[2-[(3R)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(m-tolyl)acetamide N-ethyl-2-[2-[(3R)-3-methyl-1-pi…

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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)	3.50	13.45	-23.8	0	7	0	71	425.558	5	↓ MOL2 SDF SMILES Flexibase

67226106

Analogs

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

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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)	3.32	11.93	-24.37	1	7	0	80	411.531	5	↓ MOL2 SDF SMILES Flexibase

67226108

Analogs

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

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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)	3.32	11.94	-24.54	1	7	0	80	411.531	5	↓ MOL2 SDF SMILES Flexibase

67226110

Analogs

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Popular Name: methyl 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)	2.76	11.21	-22.28	1	9	0	106	441.513	6	↓ MOL2 SDF SMILES Flexibase

67226113

Analogs

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Popular Name: methyl 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)	2.76	11.22	-22.17	1	9	0	106	441.513	6	↓ MOL2 SDF SMILES Flexibase

67226120

Analogs

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Popular Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-[(3R)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimid N-[2-chloro-5-(trifluoromethyl)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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.96	11.89	-24.41	1	7	0	80	485.919	5	↓ MOL2 SDF SMILES Flexibase

67226122

Analogs

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Popular Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-[(3S)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimid N-[2-chloro-5-(trifluoromethyl)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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.96	11.9	-24.14	1	7	0	80	485.919	5	↓ MOL2 SDF SMILES Flexibase

67226124

Analogs

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

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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)	3.97	12.19	-24.5	1	7	0	80	425.558	5	↓ MOL2 SDF SMILES Flexibase

67226127

Analogs

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

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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)	3.97	12.2	-24.31	1	7	0	80	425.558	5	↓ MOL2 SDF SMILES Flexibase

67226129

Analogs

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Popular Name: N-(4-methoxyphenyl)-2-[2-[(3R)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(4-methoxyphenyl)-2-[2-[(3R)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.51	9.56	-25.7	1	8	0	89	413.503	5	↓ MOL2 SDF SMILES Flexibase

67226131

Analogs

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Popular Name: N-(4-methoxyphenyl)-2-[2-[(3S)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(4-methoxyphenyl)-2-[2-[(3S)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.51	9.57	-25.52	1	8	0	89	413.503	5	↓ MOL2 SDF SMILES Flexibase

67226133

Analogs

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Popular Name: N-(4-fluorophenyl)-2-[2-[(3R)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(4-fluorophenyl)-2-[2-[(3R)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.62	10.33	-25.45	1	7	0	80	401.467	4	↓ MOL2 SDF SMILES Flexibase

67226135

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

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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)	2.62	10.34	-25.21	1	7	0	80	401.467	4	↓ MOL2 SDF SMILES Flexibase

67226137

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-2-[2-[(3R)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]a 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)	3.12	10.12	-28.47	1	8	0	89	447.948	5	↓ MOL2 SDF SMILES Flexibase

67226140

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-2-[2-[(3S)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]a 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)	3.12	10.13	-28.23	1	8	0	89	447.948	5	↓ MOL2 SDF SMILES Flexibase

67226143

Analogs

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Popular Name: 2-[2-[(3S)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(o-tolyl)acetamide 2-[2-[(3S)-3-methyl-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)	2.86	11.15	-25.05	1	7	0	80	397.504	4	↓ MOL2 SDF SMILES Flexibase

67226145

Analogs

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Popular Name: 2-[2-[(3R)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(o-tolyl)acetamide 2-[2-[(3R)-3-methyl-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)	2.86	11.16	-25.28	1	7	0	80	397.504	4	↓ MOL2 SDF SMILES Flexibase

67226147

Analogs

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Popular Name: 2-[2-[(3S)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(m-tolyl)acetamide 2-[2-[(3S)-3-methyl-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)	2.88	10.93	-24.24	1	7	0	80	397.504	4	↓ MOL2 SDF SMILES Flexibase

67226149

Analogs

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Popular Name: 2-[2-[(3R)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(m-tolyl)acetamide 2-[2-[(3R)-3-methyl-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)	2.88	10.94	-24.44	1	7	0	80	397.504	4	↓ MOL2 SDF SMILES Flexibase

67226151

Analogs

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Popular Name: N-(4-bromo-2-fluoro-phenyl)-2-[2-[(3R)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]ace N-(4-bromo-2-fluoro-phenyl)-2-[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)	3.36	10.99	-22.37	1	7	0	80	480.363	4	↓ MOL2 SDF SMILES Flexibase

67226153

Analogs

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Popular Name: N-(4-bromo-2-fluoro-phenyl)-2-[2-[(3S)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]ace N-(4-bromo-2-fluoro-phenyl)-2-[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)	3.36	11	-22.29	1	7	0	80	480.363	4	↓ MOL2 SDF SMILES Flexibase

67226155

Analogs

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Popular Name: N-(3-chlorophenyl)-2-[2-[(3R)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(3-chlorophenyl)-2-[2-[(3R)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.11	10.79	-26.2	1	7	0	80	417.922	4	↓ MOL2 SDF SMILES Flexibase

67226157

Analogs

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Popular Name: N-(3-chlorophenyl)-2-[2-[(3S)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(3-chlorophenyl)-2-[2-[(3S)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.11	10.8	-26.01	1	7	0	80	417.922	4	↓ MOL2 SDF SMILES Flexibase

67226160

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)	3.14	12.18	-23.55	1	9	0	106	455.54	7	↓ MOL2 SDF SMILES Flexibase

67226162

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)	3.14	12.19	-23.75	1	9	0	106	455.54	7	↓ MOL2 SDF SMILES Flexibase

67226164

Analogs

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Popular Name: 2-[2-[(3S)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(2,4,6-trimethylphenyl)aceta 2-[2-[(3S)-3-methyl-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)	2.72	12.54	-24.04	1	7	0	80	425.558	4	↓ MOL2 SDF SMILES Flexibase

67226166

Analogs

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Popular Name: 2-[2-[(3R)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(2,4,6-trimethylphenyl)aceta 2-[2-[(3R)-3-methyl-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)	2.72	12.55	-24.24	1	7	0	80	425.558	4	↓ MOL2 SDF SMILES Flexibase

67226168

Analogs

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Popular Name: N-(5-chloro-2-methyl-phenyl)-2-[2-[(3S)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]ac 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)	3.51	11.67	-26.69	1	7	0	80	431.949	4	↓ MOL2 SDF SMILES Flexibase

67226169

Analogs

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Popular Name: N-(5-chloro-2-methyl-phenyl)-2-[2-[(3R)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]ac 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)	3.51	11.68	-26.88	1	7	0	80	431.949	4	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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