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ZINC Item

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21537144

Analogs

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Popular Name: N-ethyl-2-[(7-oxo-2-phenyl-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl)sulfanyl]-N-phenyl-acetamide N-ethyl-2-[(7-oxo-2-phenyl-6H-py…

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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)	3.77	11.51	-17.29	1	7	0	83	405.483	6	↓ MOL2 SDF SMILES Flexibase

21537146

Analogs

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Popular Name: N-methyl-2-[(7-oxo-2-phenyl-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl)sulfanyl]-N-phenyl-acetamide N-methyl-2-[(7-oxo-2-phenyl-6H-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)	3.39	10.67	-17.85	1	7	0	83	391.456	5	↓ MOL2 SDF SMILES Flexibase

21537150

Analogs

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Popular Name: N-ethyl-N-(m-tolyl)-2-[(7-oxo-2-phenyl-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl)sulfanyl]acetamide N-ethyl-N-(m-tolyl)-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)	4.19	12.18	-17.28	1	7	0	83	419.51	6	↓ MOL2 SDF SMILES Flexibase

21537152

Analogs

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Popular Name: N-(2-methoxyphenyl)-2-[(7-oxo-2-phenyl-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl)sulfanyl]acetamide 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)	3.16	8.36	-16.61	2	8	0	101	407.455	6	↓ MOL2 SDF SMILES Flexibase

21537154

Analogs

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Popular Name: N-(3-methoxyphenyl)-2-[(7-oxo-2-phenyl-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl)sulfanyl]acetamide 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)	3.18	8.21	-18.03	2	8	0	101	407.455	6	↓ MOL2 SDF SMILES Flexibase

21537164

Analogs

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Popular Name: N-(4-methoxyphenyl)-2-[[2-(o-tolyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]acetamide N-(4-methoxyphenyl)-2-[[2-(o-tol…

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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	9.39	-18.25	2	8	0	101	421.482	6	↓ MOL2 SDF SMILES Flexibase

21537166

Analogs

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Popular Name: N-(3,4-dimethylphenyl)-2-[[2-(o-tolyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]acetamid N-(3,4-dimethylphenyl)-2-[[2-(o-…

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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)	4.37	11.32	-17.11	2	7	0	92	419.51	5	↓ MOL2 SDF SMILES Flexibase

21537176

Analogs

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Popular Name: N-ethyl-2-[[7-oxo-2-(p-tolyl)-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]-N-phenyl-acetamide N-ethyl-2-[[7-oxo-2-(p-tolyl)-6H…

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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	12.19	-17.06	1	7	0	83	419.51	6	↓ MOL2 SDF SMILES Flexibase

21537178

Analogs

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Popular Name: N-(3-methoxyphenyl)-2-[[7-oxo-2-(p-tolyl)-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]acetamide 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)	3.63	8.9	-20.49	2	8	0	101	421.482	6	↓ MOL2 SDF SMILES Flexibase

21537180

Analogs

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Popular Name: N-(4-methoxyphenyl)-2-[[7-oxo-2-(p-tolyl)-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]acetamide 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)	3.65	8.89	-18.57	2	8	0	101	421.482	6	↓ MOL2 SDF SMILES Flexibase

21537181

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethylphenyl)-2-[[7-oxo-2-(p-tolyl)-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]acetamid 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)	4.42	10.82	-17.45	2	7	0	92	419.51	5	↓ MOL2 SDF SMILES Flexibase

21537193

Analogs

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Popular Name: 2-[[2-(2-chlorophenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]-N-(4-fluorophenyl)aceta 2-[[2-(2-chlorophenyl)-7-oxo-6H-…

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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	9.94	-21.26	2	7	0	92	429.864	5	↓ MOL2 SDF SMILES Flexibase

21537195

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(2-chlorophenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]-N-(3-methoxyphenyl)acet 2-[[2-(2-chlorophenyl)-7-oxo-6H-…

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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	9.16	-20.19	2	8	0	101	441.9	6	↓ MOL2 SDF SMILES Flexibase

21537197

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(2-chlorophenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]-N-(4-methoxyphenyl)acet 2-[[2-(2-chlorophenyl)-7-oxo-6H-…

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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)	3.84	9.17	-21.04	2	8	0	101	441.9	6	↓ MOL2 SDF SMILES Flexibase

21537213

Analogs

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Popular Name: 2-[[2-(2-fluorophenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]-N-methyl-N-phenyl-aceta 2-[[2-(2-fluorophenyl)-7-oxo-6H-…

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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	10.93	-21.54	1	7	0	83	409.446	5	↓ MOL2 SDF SMILES Flexibase

21537219

Analogs

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Popular Name: N-ethyl-2-[[2-(2-fluorophenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]-N-(m-tolyl)acet N-ethyl-2-[[2-(2-fluorophenyl)-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)	4.31	12.44	-21.03	1	7	0	83	437.5	6	↓ MOL2 SDF SMILES Flexibase

21537249

Analogs

15732562

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(3-fluorophenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]-N-phenyl-acetamide 2-[[2-(3-fluorophenyl)-7-oxo-6H-…

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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)	3.29	8.99	-16.08	2	7	0	92	395.419	5	↓ MOL2 SDF SMILES Flexibase

21537251

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(3-fluorophenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]-N-(o-tolyl)acetamide 2-[[2-(3-fluorophenyl)-7-oxo-6H-…

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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)	3.69	9.88	-15.97	2	7	0	92	409.446	5	↓ MOL2 SDF SMILES Flexibase

21537253

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(3-fluorophenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]-N-(m-tolyl)acetamide 2-[[2-(3-fluorophenyl)-7-oxo-6H-…

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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)	3.71	9.67	-15.97	2	7	0	92	409.446	5	↓ MOL2 SDF SMILES Flexibase

21537263

Analogs

15732565

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(4-fluorophenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]-N-phenyl-acetamide 2-[[2-(4-fluorophenyl)-7-oxo-6H-…

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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)	3.31	8.99	-17.51	2	7	0	92	395.419	5	↓ MOL2 SDF SMILES Flexibase

21537265

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(4-fluorophenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]-N-(o-tolyl)acetamide 2-[[2-(4-fluorophenyl)-7-oxo-6H-…

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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)	3.71	9.88	-17.52	2	7	0	92	409.446	5	↓ MOL2 SDF SMILES Flexibase

21537267

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(4-fluorophenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]-N-(m-tolyl)acetamide 2-[[2-(4-fluorophenyl)-7-oxo-6H-…

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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	9.67	-17.34	2	7	0	92	409.446	5	↓ MOL2 SDF SMILES Flexibase

21537268

Analogs

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Popular Name: 2-[[2-(4-fluorophenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]-N-(4-methoxyphenyl)acet 2-[[2-(4-fluorophenyl)-7-oxo-6H-…

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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	8.28	-18.78	2	8	0	101	425.445	6	↓ MOL2 SDF SMILES Flexibase

21537270

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(2-methoxyphenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]-N-(m-tolyl)acetamide 2-[[2-(2-methoxyphenyl)-7-oxo-6H…

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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	9.39	-20.07	2	8	0	101	421.482	6	↓ MOL2 SDF SMILES Flexibase

21537272

Analogs

15732570

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(2-methoxyphenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]-N-(p-tolyl)acetamide 2-[[2-(2-methoxyphenyl)-7-oxo-6H…

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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	9.39	-20.16	2	8	0	101	421.482	6	↓ MOL2 SDF SMILES Flexibase

21537274

Analogs

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Popular Name: N-(2-chlorophenyl)-2-[[2-(2-methoxyphenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]acet N-(2-chlorophenyl)-2-[[2-(2-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)	3.79	9.35	-17.89	2	8	0	101	441.9	6	↓ MOL2 SDF SMILES Flexibase

21537276

Analogs

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Popular Name: N-(4-methoxyphenyl)-2-[[2-(2-methoxyphenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]ace N-(4-methoxyphenyl)-2-[[2-(2-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)	3.21	8	-21.38	2	9	0	111	437.481	7	↓ MOL2 SDF SMILES Flexibase

21537278

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethylphenyl)-2-[[2-(2-methoxyphenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl] N-(3,4-dimethylphenyl)-2-[[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)	3.98	9.94	-20.13	2	8	0	101	435.509	6	↓ MOL2 SDF SMILES Flexibase

21537286

Analogs

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Popular Name: 2-[[2-(4-methoxyphenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]-N-methyl-N-phenyl-acet 2-[[2-(4-methoxyphenyl)-7-oxo-6H…

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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)	3.45	9.99	-18.99	1	8	0	93	421.482	6	↓ MOL2 SDF SMILES Flexibase

21537296

Analogs

9641238

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Popular Name: 2-[[2-(4-methoxyphenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]-N-phenyl-acetamide 2-[[2-(4-methoxyphenyl)-7-oxo-6H…

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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)	3.21	8.24	-18.84	2	8	0	101	407.455	6	↓ MOL2 SDF SMILES Flexibase

21537298

Analogs

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Popular Name: N-(2-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]ace N-(2-methoxyphenyl)-2-[[2-(4-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)	3.21	7.65	-17.77	2	9	0	111	437.481	7	↓ MOL2 SDF SMILES Flexibase

21537300

Analogs

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Popular Name: N-(3-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]ace N-(3-methoxyphenyl)-2-[[2-(4-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)	3.24	7.54	-21.82	2	9	0	111	437.481	7	↓ MOL2 SDF SMILES Flexibase

21537302

Analogs

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Popular Name: N-(4-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]ace N-(4-methoxyphenyl)-2-[[2-(4-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)	3.26	7.53	-20	2	9	0	111	437.481	7	↓ MOL2 SDF SMILES Flexibase

21537304

Analogs

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Popular Name: N-(2,4-dimethylphenyl)-2-[[2-(4-methoxyphenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl] N-(2,4-dimethylphenyl)-2-[[2-(4-…

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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	9.79	-18.78	2	8	0	101	435.509	6	↓ MOL2 SDF SMILES Flexibase

21537306

Analogs

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Popular Name: N-(3,4-dimethylphenyl)-2-[[2-(4-methoxyphenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl] N-(3,4-dimethylphenyl)-2-[[2-(4-…

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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	9.47	-18.76	2	8	0	101	435.509	6	↓ MOL2 SDF SMILES Flexibase

21537316

Analogs

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Popular Name: 2-[[2-(4-tert-butylphenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]-N-(2-methoxyphenyl) 2-[[2-(4-tert-butylphenyl)-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)	4.86	10.66	-16.01	2	8	0	101	463.563	7	↓ MOL2 SDF SMILES Flexibase

21537356

Analogs

15732592

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Popular Name: 2-[[2-(4-ethoxyphenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]-N-(m-tolyl)acetamide 2-[[2-(4-ethoxyphenyl)-7-oxo-6H-…

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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)	4.00	9.84	-18.66	2	8	0	101	435.509	7	↓ MOL2 SDF SMILES Flexibase

21537358

Analogs

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Popular Name: 2-[[2-(4-ethoxyphenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]-N-(2-methoxyphenyl)acet 2-[[2-(4-ethoxyphenyl)-7-oxo-6H-…

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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)	3.59	8.57	-17.55	2	9	0	111	451.508	8	↓ MOL2 SDF SMILES Flexibase

21537364

Analogs

9641317
9641542

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Popular Name: N-(4-ethylphenyl)-2-[(7-oxo-2-phenyl-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl)sulfanyl]acetamide N-(4-ethylphenyl)-2-[(7-oxo-2-ph…

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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)	4.06	10.37	-17.49	2	7	0	92	405.483	6	↓ MOL2 SDF SMILES Flexibase

21537366

Analogs

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Popular Name: N-(4-ethoxyphenyl)-2-[(7-oxo-2-phenyl-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl)sulfanyl]acetamide N-(4-ethoxyphenyl)-2-[(7-oxo-2-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)	3.58	9.15	-18.68	2	8	0	101	421.482	7	↓ MOL2 SDF SMILES Flexibase

21537368

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)	3.69	10.5	-21.28	2	9	0	118	449.492	8	↓ MOL2 SDF SMILES Flexibase

21537378

Analogs

9641317

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Popular Name: N-(4-isopropylphenyl)-2-[(7-oxo-2-phenyl-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl)sulfanyl]acetamide N-(4-isopropylphenyl)-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)	4.66	10.84	-17.37	2	7	0	92	419.51	6	↓ MOL2 SDF SMILES Flexibase

21537384

Analogs

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Popular Name: N-(3,4-dimethoxyphenyl)-2-[(7-oxo-2-phenyl-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl)sulfanyl]acetamide N-(3,4-dimethoxyphenyl)-2-[(7-ox…

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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)	2.80	8.13	-21.13	2	9	0	111	437.481	7	↓ MOL2 SDF SMILES Flexibase

21537386

Analogs

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Popular Name: N-(3-fluorophenyl)-2-[(7-oxo-2-phenyl-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl)sulfanyl]acetamide N-(3-fluorophenyl)-2-[(7-oxo-2-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)	3.29	8.99	-20.63	2	7	0	92	395.419	5	↓ MOL2 SDF SMILES Flexibase

21537388

Analogs

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Popular Name: N-(3-ethylphenyl)-2-[(7-oxo-2-phenyl-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl)sulfanyl]acetamide N-(3-ethylphenyl)-2-[(7-oxo-2-ph…

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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	10.37	-17.21	2	7	0	92	405.483	6	↓ MOL2 SDF SMILES Flexibase

21537407

Analogs

15732602

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Popular Name: N-(4-ethylphenyl)-2-[[2-(o-tolyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]acetamide N-(4-ethylphenyl)-2-[[2-(o-tolyl…

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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	11.55	-16.87	2	7	0	92	419.51	6	↓ MOL2 SDF SMILES Flexibase

21537409

Analogs

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Popular Name: N-(4-ethoxyphenyl)-2-[[2-(o-tolyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]acetamide N-(4-ethoxyphenyl)-2-[[2-(o-toly…

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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)	3.98	10.33	-18.08	2	8	0	101	435.509	7	↓ MOL2 SDF SMILES Flexibase

21537415

Analogs

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Popular Name: N-(2-ethylphenyl)-2-[[2-(o-tolyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]acetamide N-(2-ethylphenyl)-2-[[2-(o-tolyl…

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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	11.78	-16.41	2	7	0	92	419.51	6	↓ MOL2 SDF SMILES Flexibase

21537417

Analogs

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Popular Name: N-(2,5-difluorophenyl)-2-[[2-(o-tolyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]acetamid N-(2,5-difluorophenyl)-2-[[2-(o-…

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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	10.34	-16.46	2	7	0	92	427.436	5	↓ MOL2 SDF SMILES Flexibase

21537423

Analogs

15732612

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Popular Name: N-(4-ethylphenyl)-2-[[2-(2-fluorophenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]acetam N-(4-ethylphenyl)-2-[[2-(2-fluor…

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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	10.63	-21.22	2	7	0	92	423.473	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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