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22720337

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[6-(4-chlorophenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]sulfanyl]-N-(o-tolyl)aceta 2-[[6-(4-chlorophenyl)-7-oxo-8H-…

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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)	3.90	9.55	-44.5	1	8	-1	108	425.881	5	↓ MOL2 SDF SMILES Flexibase

22720340

Analogs

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Popular Name: 2-[[6-(4-chlorophenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]sulfanyl]-N-(m-tolyl)aceta 2-[[6-(4-chlorophenyl)-7-oxo-8H-…

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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)	3.93	9.39	-44.99	1	8	-1	108	425.881	5	↓ MOL2 SDF SMILES Flexibase

22720342

Analogs

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Popular Name: 2-[[6-(4-chlorophenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]sulfanyl]-N-(p-tolyl)aceta 2-[[6-(4-chlorophenyl)-7-oxo-8H-…

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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)	3.95	9.39	-45.08	1	8	-1	108	425.881	5	↓ MOL2 SDF SMILES Flexibase

22720345

Analogs

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Popular Name: 2-[[6-(4-chlorophenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]sulfanyl]-N-(2-methoxyphen 2-[[6-(4-chlorophenyl)-7-oxo-8H-…

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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	8.18	-44.37	1	9	-1	117	441.88	6	↓ MOL2 SDF SMILES Flexibase

22720348

Analogs

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Popular Name: 2-[[6-(4-chlorophenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]sulfanyl]-N-(3-methoxyphen 2-[[6-(4-chlorophenyl)-7-oxo-8H-…

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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)	3.54	8.04	-48.63	1	9	-1	117	441.88	6	↓ MOL2 SDF SMILES Flexibase

22720351

Analogs

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Popular Name: 2-[[6-(4-chlorophenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]sulfanyl]-N-(2-fluoropheny 2-[[6-(4-chlorophenyl)-7-oxo-8H-…

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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	8.83	-43.51	1	8	-1	108	429.844	5	↓ MOL2 SDF SMILES Flexibase

22720354

Analogs

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Popular Name: 2-[[6-(4-chlorophenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]sulfanyl]-N-(4-fluoropheny 2-[[6-(4-chlorophenyl)-7-oxo-8H-…

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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	8.78	-44.84	1	8	-1	108	429.844	5	↓ MOL2 SDF SMILES Flexibase

22720357

Analogs

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Popular Name: 2-[[6-(4-chlorophenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]sulfanyl]-N-[2-(trifluorom 2-[[6-(4-chlorophenyl)-7-oxo-8H-…

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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)	4.35	10	-42.82	1	8	-1	108	479.851	6	↓ MOL2 SDF SMILES Flexibase

22720366

Analogs

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Popular Name: 2-[[6-(4-chlorophenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]sulfanyl]-N-(4-ethoxypheny 2-[[6-(4-chlorophenyl)-7-oxo-8H-…

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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	8.96	-46.3	1	9	-1	117	455.907	7	↓ MOL2 SDF SMILES Flexibase

22720373

Analogs

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Popular Name: N-(3-chlorophenyl)-2-[[6-(4-chlorophenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]sulfany N-(3-chlorophenyl)-2-[[6-(4-chlo…

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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)	4.16	9.24	-46.31	1	8	-1	108	446.299	5	↓ MOL2 SDF SMILES Flexibase

22720376

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-2-[[6-(4-chlorophenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]sulfany N-(4-chlorophenyl)-2-[[6-(4-chlo…

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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	9.24	-44.3	1	8	-1	108	446.299	5	↓ MOL2 SDF SMILES Flexibase

22720382

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[6-(4-chlorophenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]sulfanyl]-N-(3,4-dimethylp 2-[[6-(4-chlorophenyl)-7-oxo-8H-…

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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)	4.33	9.29	-44.54	1	8	-1	108	439.908	5	↓ MOL2 SDF SMILES Flexibase

22720385

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[6-(4-chlorophenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]sulfanyl]-N-(3,5-dimethylp 2-[[6-(4-chlorophenyl)-7-oxo-8H-…

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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)	4.33	10.06	-45.16	1	8	-1	108	439.908	5	↓ MOL2 SDF SMILES Flexibase

22720388

Analogs

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Popular Name: 2-[[6-(4-chlorophenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]sulfanyl]-N-(2,3-dimethylp 2-[[6-(4-chlorophenyl)-7-oxo-8H-…

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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	10.26	-44.66	1	8	-1	108	439.908	5	↓ MOL2 SDF SMILES Flexibase

22720391

Analogs

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Popular Name: 2-[[6-(4-chlorophenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]sulfanyl]-N-(2,6-dimethylp 2-[[6-(4-chlorophenyl)-7-oxo-8H-…

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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	10.45	-44.4	1	8	-1	108	439.908	5	↓ MOL2 SDF SMILES Flexibase

22720395

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[6-(4-chlorophenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]sulfanyl]-N-(2,5-dimethylp 2-[[6-(4-chlorophenyl)-7-oxo-8H-…

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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)	4.33	10.25	-44.71	1	8	-1	108	439.908	5	↓ MOL2 SDF SMILES Flexibase

22720540

Analogs

15882040

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Popular Name: 2-[[6-(4-methoxyphenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]sulfanyl]-N-(o-tolyl)acet 2-[[6-(4-methoxyphenyl)-7-oxo-8H…

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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)	3.28	8.36	-47.73	1	9	-1	117	421.462	6	↓ MOL2 SDF SMILES Flexibase

22720543

Analogs

4251408

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[6-(4-methoxyphenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]sulfanyl]-N-(p-tolyl)acet 2-[[6-(4-methoxyphenyl)-7-oxo-8H…

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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	8.19	-48.34	1	9	-1	117	421.462	6	↓ MOL2 SDF SMILES Flexibase

22720546

Analogs

4251408

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methoxyphenyl)-2-[[6-(4-methoxyphenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]sulfa N-(4-methoxyphenyl)-2-[[6-(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)	2.94	6.83	-49.68	1	10	-1	127	437.461	7	↓ MOL2 SDF SMILES Flexibase

22720549

Analogs

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Popular Name: N-(2-methoxyphenyl)-2-[[6-(4-methoxyphenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]sulfa N-(2-methoxyphenyl)-2-[[6-(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)	2.89	6.99	-47.63	1	10	-1	127	437.461	7	↓ MOL2 SDF SMILES Flexibase

22720552

Analogs

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Popular Name: N-(3-methoxyphenyl)-2-[[6-(4-methoxyphenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]sulfa N-(3-methoxyphenyl)-2-[[6-(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)	2.92	6.84	-48.54	1	10	-1	127	437.461	7	↓ MOL2 SDF SMILES Flexibase

22720558

Analogs

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Popular Name: N-(2-chlorophenyl)-2-[[6-(4-methoxyphenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]sulfan N-(2-chlorophenyl)-2-[[6-(4-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)	3.51	8.16	-46.02	1	9	-1	117	441.88	6	↓ MOL2 SDF SMILES Flexibase

22720561

Analogs

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Popular Name: N-(3,4-dimethylphenyl)-2-[[6-(4-methoxyphenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]su N-(3,4-dimethylphenyl)-2-[[6-(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)	3.71	8.87	-48.52	1	9	-1	117	435.489	6	↓ MOL2 SDF SMILES Flexibase

22720564

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethylphenyl)-2-[[6-(4-methoxyphenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]su N-(3,5-dimethylphenyl)-2-[[6-(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)	3.71	8.87	-48.42	1	9	-1	117	435.489	6	↓ MOL2 SDF SMILES Flexibase

22720567

Analogs

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Popular Name: N-(2,3-dimethylphenyl)-2-[[6-(4-methoxyphenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]su N-(2,3-dimethylphenyl)-2-[[6-(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)	3.68	9.07	-47.93	1	9	-1	117	435.489	6	↓ MOL2 SDF SMILES Flexibase

22720570

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethylphenyl)-2-[[6-(4-methoxyphenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]su N-(2,5-dimethylphenyl)-2-[[6-(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)	3.71	9.05	-47.91	1	9	-1	117	435.489	6	↓ MOL2 SDF SMILES Flexibase

22720573

Analogs

15882040

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethylphenyl)-2-[[6-(4-methoxyphenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]su N-(2,4-dimethylphenyl)-2-[[6-(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)	3.71	9.01	-47.93	1	9	-1	117	435.489	6	↓ MOL2 SDF SMILES Flexibase

22720576

Analogs

15882037

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dichlorophenyl)-2-[[6-(4-methoxyphenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]su N-(3,5-dichlorophenyl)-2-[[6-(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)	4.17	8.56	-47.06	1	9	-1	117	476.325	6	↓ MOL2 SDF SMILES Flexibase

22720579

Analogs

15882039

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Popular Name: N-(4-ethylphenyl)-2-[[6-(4-methoxyphenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]sulfany N-(4-ethylphenyl)-2-[[6-(4-metho…

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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	8.97	-48.17	1	9	-1	117	435.489	7	↓ MOL2 SDF SMILES Flexibase

22720585

Analogs

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Popular Name: N-(4-acetylphenyl)-2-[[6-(4-methoxyphenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]sulfan N-(4-acetylphenyl)-2-[[6-(4-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)	2.78	7.92	-49.99	1	10	-1	134	449.472	7	↓ MOL2 SDF SMILES Flexibase

22720587

Analogs

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Popular Name: N-(4-bromophenyl)-2-[[6-(4-methoxyphenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]sulfany N-(4-bromophenyl)-2-[[6-(4-metho…

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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	8.15	-47.42	1	9	-1	117	486.331	6	↓ MOL2 SDF SMILES Flexibase

22720599

Analogs

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Popular Name: N-(5-chloro-2-methyl-phenyl)-2-[[6-(4-methoxyphenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3 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)	3.94	8.86	-48.84	1	9	-1	117	455.907	6	↓ MOL2 SDF SMILES Flexibase

22720601

Analogs

15882040

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Popular Name: 2-[[6-(4-methoxyphenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]sulfanyl]-N-(2,4,6-trimet 2-[[6-(4-methoxyphenyl)-7-oxo-8H…

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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)	3.15	9.65	-47.68	1	9	-1	117	449.516	6	↓ MOL2 SDF SMILES Flexibase

22720606

Analogs

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Popular Name: 2-[[6-(4-methoxyphenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]sulfanyl]-N-methyl-N-phen 2-[[6-(4-methoxyphenyl)-7-oxo-8H…

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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	9.34	-46.88	0	9	-1	109	421.462	6	↓ MOL2 SDF SMILES Flexibase

22720660

Analogs

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Popular Name: 2-[[6-(4-fluorophenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]sulfanyl]-N-(2-methoxyphen 2-[[6-(4-fluorophenyl)-7-oxo-8H-…

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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	7.73	-44.2	1	9	-1	117	425.425	6	↓ MOL2 SDF SMILES Flexibase

22720663

Analogs

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Popular Name: 2-[[6-(4-fluorophenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]sulfanyl]-N-(3-methoxyphen 2-[[6-(4-fluorophenyl)-7-oxo-8H-…

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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)	3.02	7.59	-48.5	1	9	-1	117	425.425	6	↓ MOL2 SDF SMILES Flexibase

22720695

Analogs

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Popular Name: N-(4-chlorophenyl)-2-[[6-(4-fluorophenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]sulfany N-(4-chlorophenyl)-2-[[6-(4-fluo…

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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	8.79	-44.17	1	8	-1	108	429.844	5	↓ MOL2 SDF SMILES Flexibase

22720701

Analogs

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Popular Name: N-(3,4-dimethylphenyl)-2-[[6-(4-fluorophenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]sul N-(3,4-dimethylphenyl)-2-[[6-(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)	3.81	9.61	-45.06	1	8	-1	108	423.453	5	↓ MOL2 SDF SMILES Flexibase

22720707

Analogs

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Popular Name: N-(2,3-dimethylphenyl)-2-[[6-(4-fluorophenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]sul N-(2,3-dimethylphenyl)-2-[[6-(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)	3.79	9.81	-44.54	1	8	-1	108	423.453	5	↓ MOL2 SDF SMILES Flexibase

22720716

Analogs

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Popular Name: N-(2,4-dimethylphenyl)-2-[[6-(4-fluorophenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]sul N-(2,4-dimethylphenyl)-2-[[6-(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)	3.81	9.75	-44.54	1	8	-1	108	423.453	5	↓ MOL2 SDF SMILES Flexibase

22720784

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[6-(4-fluorophenyl)-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]sulfanyl]-N-(2,4,6-trimeth 2-[[6-(4-fluorophenyl)-7-oxo-8H-…

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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	10.39	-44.33	1	8	-1	108	437.48	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 115198
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 = 115198 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', {
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