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ZINC Item

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22698650

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethylphenyl)-2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridyl]acetamide N-(4-ethylphenyl)-2-[5-methoxy-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)	3.13	10.74	-31.44	1	7	0	67	460.578	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.13	12.35	-68.37	2	7	1	68	461.586	8	↓ MOL2 SDF SMILES Flexibase

22698656

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridyl]-N-(2-methoxyphenyl)acetamide 2-[5-methoxy-4-oxo-2-[(4-phenylp…

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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)	2.22	8.76	-28.77	1	8	0	76	462.55	8	↓ MOL2 SDF SMILES Flexibase

22698661

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethoxyphenyl)-2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridyl]acetamide N-(2,5-dimethoxyphenyl)-2-[5-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)	2.25	8.01	-31.98	1	9	0	85	492.576	9	↓ MOL2 SDF SMILES Flexibase

22698667

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridyl]-N-[2-(trifluoromethyl)phenyl]acetam 2-[5-methoxy-4-oxo-2-[(4-phenylp…

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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)	3.06	10.55	-25.91	1	7	0	67	500.521	8	↓ MOL2 SDF SMILES Flexibase

22698671

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridyl]-N-(4-nitrophenyl)acetamide 2-[5-methoxy-4-oxo-2-[(4-phenylp…

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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)	2.17	10	-40.34	1	10	0	113	477.521	8	↓ MOL2 SDF SMILES Flexibase

22698696

Analogs

39702242

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridyl]acetamide N-(3-chlorophenyl)-2-[5-methoxy-…

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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	9.82	-34.58	1	7	0	67	466.969	7	↓ MOL2 SDF SMILES Flexibase

22698698

Analogs

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Popular Name: N-(3-chloro-4-methyl-phenyl)-2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridyl]acetami 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)	3.27	10.43	-34.55	1	7	0	67	480.996	7	↓ MOL2 SDF SMILES Flexibase

22698706

Analogs

16994132
17025918

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridyl]-N-(o-tolyl)acetamide 2-[2-[[4-(4-fluorophenyl)piperaz…

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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	10.18	-31.8	1	7	0	67	464.541	7	↓ MOL2 SDF SMILES Flexibase

22698715

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethylphenyl)-2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridyl]acetamid N-(4-ethylphenyl)-2-[2-[[4-(4-fl…

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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	10.81	-31.49	1	7	0	67	478.568	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.29	12.42	-71.82	2	7	1	68	479.576	8	↓ MOL2 SDF SMILES Flexibase

22698717

Analogs

16974740

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluorophenyl)-2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridyl]acetami N-(3-fluorophenyl)-2-[2-[[4-(4-f…

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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	9.43	-36.65	1	7	0	67	468.504	7	↓ MOL2 SDF SMILES Flexibase

22698723

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethoxyphenyl)-2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridyl]acetami N-(4-ethoxyphenyl)-2-[2-[[4-(4-f…

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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)	2.81	9.61	-34.4	1	8	0	76	494.567	9	↓ MOL2 SDF SMILES Flexibase

22698728

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridyl]-N-(4-nitrophenyl)acetamid 2-[2-[[4-(4-fluorophenyl)piperaz…

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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)	2.33	10.07	-41.5	1	10	0	113	495.511	8	↓ MOL2 SDF SMILES Flexibase

22698755

Analogs

39702242
39702247
39702249
20830075
20830133

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridyl]-N-phenyl-acetamide 2-[5-methoxy-2-[[4-(4-methoxyphe…

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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)	2.27	8.61	-33.01	1	8	0	76	462.55	8	↓ MOL2 SDF SMILES Flexibase

22698757

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridyl]-N-(o-tolyl)acetamide 2-[5-methoxy-2-[[4-(4-methoxyphe…

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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)	2.67	9.43	-33.14	1	8	0	76	476.577	8	↓ MOL2 SDF SMILES Flexibase

22698759

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridyl]-N-(m-tolyl)acetamide 2-[5-methoxy-2-[[4-(4-methoxyphe…

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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)	2.69	9.29	-33.01	1	8	0	76	476.577	8	↓ MOL2 SDF SMILES Flexibase

22698761

Analogs

39702247

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridyl]-N-(p-tolyl)acetamide 2-[5-methoxy-2-[[4-(4-methoxyphe…

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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	9.3	-33.03	1	8	0	76	476.577	8	↓ MOL2 SDF SMILES Flexibase

22698763

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dimethylphenyl)-2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridyl]ac N-(2,3-dimethylphenyl)-2-[5-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)	3.07	10.13	-33.27	1	8	0	76	490.604	8	↓ MOL2 SDF SMILES Flexibase

22698765

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethylphenyl)-2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridyl]ac N-(2,5-dimethylphenyl)-2-[5-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)	3.09	10.11	-32.76	1	8	0	76	490.604	8	↓ MOL2 SDF SMILES Flexibase

22698767

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethylphenyl)-2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridyl]ac N-(2,4-dimethylphenyl)-2-[5-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)	3.09	10.05	-33.14	1	8	0	76	490.604	8	↓ MOL2 SDF SMILES Flexibase

22698769

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethylphenyl)-2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridyl]ac N-(3,5-dimethylphenyl)-2-[5-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)	3.09	9.98	-32.55	1	8	0	76	490.604	8	↓ MOL2 SDF SMILES Flexibase

22698771

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridyl]-N-(2,4,6-trimethylphenyl 2-[5-methoxy-2-[[4-(4-methoxyphe…

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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)	2.53	9.46	-32.7	1	8	0	76	504.631	8	↓ MOL2 SDF SMILES Flexibase

22698773

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluorophenyl)-2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridyl]acetam N-(3-fluorophenyl)-2-[5-methoxy-…

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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)	2.41	8.65	-38.03	1	8	0	76	480.54	8	↓ MOL2 SDF SMILES Flexibase

22698775

Analogs

16954123

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridyl]acetam N-(4-fluorophenyl)-2-[5-methoxy-…

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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)	2.43	8.67	-35.44	1	8	0	76	480.54	8	↓ MOL2 SDF SMILES Flexibase

22698777

Analogs

20830131

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-difluorophenyl)-2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridyl]ac N-(2,4-difluorophenyl)-2-[5-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)	2.52	8.8	-30.35	1	8	0	76	498.53	8	↓ MOL2 SDF SMILES Flexibase

22698779

Analogs

16944738
20830135

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridyl]-N-(2-methoxyphenyl)aceta 2-[5-methoxy-2-[[4-(4-methoxyphe…

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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)	2.28	8.08	-30.12	1	9	0	85	492.576	9	↓ MOL2 SDF SMILES Flexibase

22698781

Analogs

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Popular Name: 2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridyl]-N-(3-methoxyphenyl)aceta 2-[5-methoxy-2-[[4-(4-methoxyphe…

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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)	2.30	7.94	-32.94	1	9	0	85	492.576	9	↓ MOL2 SDF SMILES Flexibase

22698783

Analogs

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Popular Name: N-(2-ethoxyphenyl)-2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridyl]acetam N-(2-ethoxyphenyl)-2-[5-methoxy-…

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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)	2.65	9.02	-29.53	1	9	0	85	506.603	10	↓ MOL2 SDF SMILES Flexibase

22698785

Analogs

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Popular Name: N-(4-ethoxyphenyl)-2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridyl]acetam N-(4-ethoxyphenyl)-2-[5-methoxy-…

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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)	2.70	8.87	-35.6	1	9	0	85	506.603	10	↓ MOL2 SDF SMILES Flexibase

22698789

Analogs

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Popular Name: 2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridyl]-N-(3-nitrophenyl)acetami 2-[5-methoxy-2-[[4-(4-methoxyphe…

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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)	2.20	9.3	-35.17	1	11	0	122	507.547	9	↓ MOL2 SDF SMILES Flexibase

22698791

Analogs

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Popular Name: 2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridyl]-N-(4-nitrophenyl)acetami 2-[5-methoxy-2-[[4-(4-methoxyphe…

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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)	2.23	9.32	-41.9	1	11	0	122	507.547	9	↓ MOL2 SDF SMILES Flexibase

22698793

Analogs

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Popular Name: N-(4-acetylphenyl)-2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridyl]acetam N-(4-acetylphenyl)-2-[5-methoxy-…

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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)	2.17	8.98	-35.18	1	9	0	93	504.587	9	↓ MOL2 SDF SMILES Flexibase

22698815

Analogs

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Popular Name: 4-[[2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridyl]acetyl]amino]benzamid 4-[[2-[5-methoxy-2-[[4-(4-methox…

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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)	1.09	5.09	-37.5	3	10	0	119	505.575	9	↓ MOL2 SDF SMILES Flexibase

22698827

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39702247

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Popular Name: N-(3-chlorophenyl)-2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridyl]acetam N-(3-chlorophenyl)-2-[5-methoxy-…

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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	9.1	-36.22	1	8	0	76	496.995	8	↓ MOL2 SDF SMILES Flexibase

22698829

Analogs

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Popular Name: N-(4-chlorophenyl)-2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridyl]acetam N-(4-chlorophenyl)-2-[5-methoxy-…

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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)	2.95	9.13	-34.39	1	8	0	76	496.995	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 107261
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 = 107261 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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