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ZINC Item

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67225667

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]acetami 2-[2-[benzyl(methyl)amino]-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)	3.58	12.63	-28.98	1	7	0	80	473.48	7	↓ MOL2 SDF SMILES Flexibase

67225671

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(4-ethoxyphenyl)acetamide 2-[2-[benzyl(methyl)amino]-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)	3.14	11.84	-27.24	1	8	0	89	449.536	8	↓ MOL2 SDF SMILES Flexibase

67225680

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(3-methoxyphenyl)acetamide 2-[2-[benzyl(methyl)amino]-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)	2.74	10.92	-29.42	1	8	0	89	435.509	7	↓ MOL2 SDF SMILES Flexibase

67225684

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(4-ethylphenyl)acetamide 2-[2-[benzyl(methyl)amino]-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)	3.62	13.06	-26.32	1	7	0	80	433.537	7	↓ MOL2 SDF SMILES Flexibase

67225686

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(2-chlorophenyl)acetamide 2-[2-[benzyl(methyl)amino]-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)	3.34	12.26	-24.36	1	7	0	80	439.928	6	↓ MOL2 SDF SMILES Flexibase

67225687

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(2,4-dimethoxyphenyl)acetamide 2-[2-[benzyl(methyl)amino]-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)	2.75	10.32	-26.5	1	9	0	99	465.535	8	↓ MOL2 SDF SMILES Flexibase

67225689

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(3-chloro-4-methyl-phenyl)acetamid 2-[2-[benzyl(methyl)amino]-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)	3.76	12.72	-25.52	1	7	0	80	453.955	6	↓ MOL2 SDF SMILES Flexibase

67225692

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-[2-(trifluoromethyl)phenyl]acetami 2-[2-[benzyl(methyl)amino]-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)	3.55	12.87	-23.19	1	7	0	80	473.48	7	↓ MOL2 SDF SMILES Flexibase

67225694

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)	3.25	13.2	-29.17	1	9	0	106	477.546	9	↓ MOL2 SDF SMILES Flexibase

67225703

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(2-ethylphenyl)acetamide 2-[2-[benzyl(methyl)amino]-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)	3.57	13.29	-26.55	1	7	0	80	433.537	7	↓ MOL2 SDF SMILES Flexibase

67225706

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)	3.01	12.57	-23.98	1	9	0	106	463.519	8	↓ MOL2 SDF SMILES Flexibase

67225711

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(4-isopropylphenyl)acetamide 2-[2-[benzyl(methyl)amino]-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)	4.22	13.53	-26.1	1	7	0	80	447.564	7	↓ MOL2 SDF SMILES Flexibase

67225712

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(4-methoxyphenyl)acetamide 2-[2-[benzyl(methyl)amino]-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)	2.76	10.92	-27.31	1	8	0	89	435.509	7	↓ MOL2 SDF SMILES Flexibase

67225715

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(4-fluorophenyl)acetamide 2-[2-[benzyl(methyl)amino]-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)	2.87	11.69	-26.88	1	7	0	80	423.473	6	↓ MOL2 SDF SMILES Flexibase

67225717

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(3-chloro-4-methoxy-phenyl)acetami 2-[2-[benzyl(methyl)amino]-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)	3.37	11.48	-29.86	1	8	0	89	469.954	7	↓ MOL2 SDF SMILES Flexibase

67225720

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(o-tolyl)acetamide 2-[2-[benzyl(methyl)amino]-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)	3.11	12.51	-27.16	1	7	0	80	419.51	6	↓ MOL2 SDF SMILES Flexibase

67225721

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(m-tolyl)acetamide 2-[2-[benzyl(methyl)amino]-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)	3.13	12.29	-26.38	1	7	0	80	419.51	6	↓ MOL2 SDF SMILES Flexibase

67225723

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(3-chlorophenyl)acetamide 2-[2-[benzyl(methyl)amino]-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)	3.36	12.14	-27.68	1	7	0	80	439.928	6	↓ MOL2 SDF SMILES Flexibase

67225727

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)	3.39	13.55	-25.74	1	9	0	106	477.546	9	↓ MOL2 SDF SMILES Flexibase

67225730

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(2,4,6-trimethylphenyl)acetamide 2-[2-[benzyl(methyl)amino]-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)	2.97	13.91	-26.18	1	7	0	80	447.564	6	↓ MOL2 SDF SMILES Flexibase

67225732

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(5-chloro-2-methyl-phenyl)acetamid 2-[2-[benzyl(methyl)amino]-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)	3.76	13.03	-28.87	1	7	0	80	453.955	6	↓ MOL2 SDF SMILES Flexibase

67225734

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(2-chloro-4-methyl-phenyl)acetamid 2-[2-[benzyl(methyl)amino]-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)	3.76	12.91	-24.13	1	7	0	80	453.955	6	↓ MOL2 SDF SMILES Flexibase

67225737

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(2,6-dimethylphenyl)acetamide 2-[2-[benzyl(methyl)amino]-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)	2.57	13.48	-26.54	1	7	0	80	433.537	6	↓ MOL2 SDF SMILES Flexibase

67225740

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(2,4-difluorophenyl)acetamide 2-[2-[benzyl(methyl)amino]-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)	2.96	11.8	-24.26	1	7	0	80	441.463	6	↓ MOL2 SDF SMILES Flexibase

67225741

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(2-fluorophenyl)acetamide 2-[2-[benzyl(methyl)amino]-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)	2.82	11.73	-25.01	1	7	0	80	423.473	6	↓ MOL2 SDF SMILES Flexibase

67225743

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(4-bromophenyl)acetamide 2-[2-[benzyl(methyl)amino]-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)	3.52	12.25	-26.2	1	7	0	80	484.379	6	↓ MOL2 SDF SMILES Flexibase

67225744

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-phenyl-acetamide 2-[2-[benzyl(methyl)amino]-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)	2.71	11.62	-26.35	1	7	0	80	405.483	6	↓ MOL2 SDF SMILES Flexibase

67225745

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(3,5-dimethoxyphenyl)acetamide 2-[2-[benzyl(methyl)amino]-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)	2.75	10.23	-29.32	1	9	0	99	465.535	8	↓ MOL2 SDF SMILES Flexibase

67225746

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(3-methylsulfanylphenyl)acetamide 2-[2-[benzyl(methyl)amino]-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)	3.12	12.65	-29	1	7	0	80	451.577	7	↓ MOL2 SDF SMILES Flexibase

67225747

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(2-ethyl-6-methyl-phenyl)acetamide 2-[2-[benzyl(methyl)amino]-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)	3.04	14.12	-26.19	1	7	0	80	447.564	7	↓ MOL2 SDF SMILES Flexibase

67225748

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(4-chlorophenyl)acetamide 2-[2-[benzyl(methyl)amino]-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)	3.38	12.14	-26.32	1	7	0	80	439.928	6	↓ MOL2 SDF SMILES Flexibase

67225751

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(2,5-dimethylphenyl)acetamide 2-[2-[benzyl(methyl)amino]-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)	3.53	13.14	-26.4	1	7	0	80	433.537	6	↓ MOL2 SDF SMILES Flexibase

67225753

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(3,4-dimethoxyphenyl)acetamide 2-[2-[benzyl(methyl)amino]-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)	2.35	10.82	-29.45	1	9	0	99	465.535	8	↓ MOL2 SDF SMILES Flexibase

67225757

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(3-bromophenyl)acetamide 2-[2-[benzyl(methyl)amino]-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)	3.49	12.25	-27.53	1	7	0	80	484.379	6	↓ MOL2 SDF SMILES Flexibase

67225763

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(2,5-difluorophenyl)acetamide 2-[2-[benzyl(methyl)amino]-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)	2.96	11.8	-25.87	1	7	0	80	441.463	6	↓ MOL2 SDF SMILES Flexibase

67225765

Analogs

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Popular Name: N-(3-acetylphenyl)-2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(3-acetylphenyl)-2-[2-[benzyl(…

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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)	2.58	12.03	-34.69	1	8	0	97	447.52	7	↓ MOL2 SDF SMILES Flexibase

67225787

Analogs

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Popular Name: N-(4-acetylphenyl)-2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(4-acetylphenyl)-2-[2-[benzyl(…

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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)	2.60	12.03	-29.32	1	8	0	97	447.52	7	↓ MOL2 SDF SMILES Flexibase

67225793

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(3-fluorophenyl)acetamide 2-[2-[benzyl(methyl)amino]-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)	2.85	11.69	-28.86	1	7	0	80	423.473	6	↓ MOL2 SDF SMILES Flexibase

67225798

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dimethylphenyl)acetamide 2-[2-[benzyl(methyl)amino]-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)	3.51	13.03	-26.54	1	7	0	80	433.537	6	↓ MOL2 SDF SMILES Flexibase

67225800

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-methyl-N-(m-tolyl)acetamide 2-[2-[benzyl(methyl)amino]-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)	3.38	13.97	-27.38	0	7	0	71	433.537	6	↓ MOL2 SDF SMILES Flexibase

67225809

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(2-methoxy-5-methyl-phenyl)acetami 2-[2-[benzyl(methyl)amino]-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)	3.14	11.72	-26.11	1	8	0	89	449.536	7	↓ MOL2 SDF SMILES Flexibase

67225812

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(3,4,5-trimethoxyphenyl)acetamide 2-[2-[benzyl(methyl)amino]-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)	2.34	10.77	-30.76	1	10	0	108	495.561	9	↓ MOL2 SDF SMILES Flexibase

67225815

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(3-isopropylphenyl)acetamide 2-[2-[benzyl(methyl)amino]-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)	4.20	13.52	-25.88	1	7	0	80	447.564	7	↓ MOL2 SDF SMILES Flexibase

67225818

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(3-cyanophenyl)acetamide 2-[2-[benzyl(methyl)amino]-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)	2.44	12.02	-31.11	1	8	0	104	430.493	6	↓ MOL2 SDF SMILES Flexibase

67225822

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(2-chloro-6-methyl-phenyl)acetamid 2-[2-[benzyl(methyl)amino]-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)	3.74	13.31	-24.91	1	7	0	80	453.955	6	↓ MOL2 SDF SMILES Flexibase

67225826

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(4-butylphenyl)acetamide 2-[2-[benzyl(methyl)amino]-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)	4.57	14.62	-26.17	1	7	0	80	461.591	9	↓ MOL2 SDF SMILES Flexibase

67225828

Analogs

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Popular Name: N-(4-acetamidophenyl)-2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(4-acetamidophenyl)-2-[2-[benz…

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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)	1.92	10.53	-34.95	2	9	0	109	462.535	7	↓ MOL2 SDF SMILES Flexibase

67225830

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(2-chloro-5-fluoro-phenyl)acetamid 2-[2-[benzyl(methyl)amino]-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)	3.48	12.33	-25.36	1	7	0	80	457.918	6	↓ MOL2 SDF SMILES Flexibase

67225832

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-[4-(trifluoromethyl)phenyl]acetami 2-[2-[benzyl(methyl)amino]-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)	3.60	12.63	-26.94	1	7	0	80	473.48	7	↓ MOL2 SDF SMILES Flexibase

67225834

Analogs

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Popular Name: 2-[2-[benzyl(methyl)amino]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(2-bromo-4-methyl-phenyl)acetamide 2-[2-[benzyl(methyl)amino]-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)	3.89	13.04	-23.96	1	7	0	80	498.406	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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