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67225441

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-isopropylphenyl)-5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-(3-isopropylphenyl)-5-methyl-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)	2.77	6.84	-17.63	2	6	0	79	310.357	3	↓ MOL2 SDF SMILES Flexibase

67225446

Analogs

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Popular Name: N-(2,4-dimethoxyphenyl)-5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-(2,4-dimethoxyphenyl)-5-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)	1.32	3.6	-18.68	2	8	0	98	328.328	4	↓ MOL2 SDF SMILES Flexibase

67225448

Analogs

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Popular Name: N-(2,5-dimethoxyphenyl)-5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-(2,5-dimethoxyphenyl)-5-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)	1.32	3.59	-19.81	2	8	0	98	328.328	4	↓ MOL2 SDF SMILES Flexibase

67225449

Analogs

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Popular Name: N-(3,4-dimethoxyphenyl)-5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-(3,4-dimethoxyphenyl)-5-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)	0.92	4.12	-21.37	2	8	0	98	328.328	4	↓ MOL2 SDF SMILES Flexibase

67225451

Analogs

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Popular Name: N-(3,5-dimethoxyphenyl)-5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-(3,5-dimethoxyphenyl)-5-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)	1.32	3.54	-20.57	2	8	0	98	328.328	4	↓ MOL2 SDF SMILES Flexibase

67225453

Analogs

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Popular Name: 5-methyl-7-oxo-N-(3,4,5-trimethoxyphenyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide 5-methyl-7-oxo-N-(3,4,5-trimetho…

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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)	0.91	4.06	-22.98	2	9	0	107	358.354	5	↓ MOL2 SDF SMILES Flexibase

67225457

Analogs

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Popular Name: N-(3-acetylphenyl)-5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-(3-acetylphenyl)-5-methyl-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)	1.15	5.33	-21.54	2	7	0	96	310.313	3	↓ MOL2 SDF SMILES Flexibase

67225463

Analogs

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Popular Name: N-(2-cyanophenyl)-5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-(2-cyanophenyl)-5-methyl-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)	0.98	5.37	-18.95	2	7	0	103	293.286	2	↓ MOL2 SDF SMILES Flexibase

67225465

Analogs

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Popular Name: N-(3-cyanophenyl)-5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-(3-cyanophenyl)-5-methyl-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)	1.01	5.29	-22.61	2	7	0	103	293.286	2	↓ MOL2 SDF SMILES Flexibase

67225467

Analogs

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Popular Name: N-(4-cyanophenyl)-5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-(4-cyanophenyl)-5-methyl-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)	1.03	5.33	-21.52	2	7	0	103	293.286	2	↓ MOL2 SDF SMILES Flexibase

67225469

Analogs

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Popular Name: N-(2-carbamoylphenyl)-5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-(2-carbamoylphenyl)-5-methyl-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)	0.05	2.15	-20.74	4	8	0	122	311.301	3	↓ MOL2 SDF SMILES Flexibase

67225471

Analogs

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Popular Name: N-(4-carbamoylphenyl)-5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-(4-carbamoylphenyl)-5-methyl-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)	0.10	1.73	-23.61	4	8	0	122	311.301	3	↓ MOL2 SDF SMILES Flexibase

67225476

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)	1.43	5.58	-24.13	2	8	0	106	326.312	4	↓ MOL2 SDF SMILES Flexibase

67225481

Analogs

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Popular Name: N-(3-fluorophenyl)-5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-(3-fluorophenyl)-5-methyl-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)	1.42	4.99	-20.09	2	6	0	79	286.266	2	↓ MOL2 SDF SMILES Flexibase

67225482

Analogs

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Popular Name: N-(2,4-difluorophenyl)-5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-(2,4-difluorophenyl)-5-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)	1.53	5.09	-16.76	2	6	0	79	304.256	2	↓ MOL2 SDF SMILES Flexibase

67225483

Analogs

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Popular Name: N-(2,5-difluorophenyl)-5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-(2,5-difluorophenyl)-5-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)	1.53	5.09	-17.59	2	6	0	79	304.256	2	↓ MOL2 SDF SMILES Flexibase

67225485

Analogs

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Popular Name: N-(3,4-difluorophenyl)-5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-(3,4-difluorophenyl)-5-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)	1.53	5.04	-21.5	2	6	0	79	304.256	2	↓ MOL2 SDF SMILES Flexibase

67225486

Analogs

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Popular Name: N-(3,5-difluorophenyl)-5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-(3,5-difluorophenyl)-5-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)	1.53	5.06	-18.44	2	6	0	79	304.256	2	↓ MOL2 SDF SMILES Flexibase

67225488

Analogs

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Popular Name: N-(2,5-dichlorophenyl)-5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-(2,5-dichlorophenyl)-5-methyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.56	6.06	-16.59	2	6	0	79	337.166	2	↓ MOL2 SDF SMILES Flexibase

67225491

Analogs

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Popular Name: N-(3,4-dichlorophenyl)-5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-(3,4-dichlorophenyl)-5-methyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.56	5.91	-19.67	2	6	0	79	337.166	2	↓ MOL2 SDF SMILES Flexibase

67225495

Analogs

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Popular Name: N-(4-bromophenyl)-5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-(4-bromophenyl)-5-methyl-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)	2.09	5.55	-18.19	2	6	0	79	347.172	2	↓ MOL2 SDF SMILES Flexibase

67225496

Analogs

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Popular Name: N-(2-chloro-4-fluoro-phenyl)-5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-(2-chloro-4-fluoro-phenyl)-5-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.05	5.62	-16.33	2	6	0	79	320.711	2	↓ MOL2 SDF SMILES Flexibase

67225498

Analogs

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Popular Name: N-(3-chloro-4-fluoro-phenyl)-5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-(3-chloro-4-fluoro-phenyl)-5-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.05	5.49	-20.41	2	6	0	79	320.711	2	↓ MOL2 SDF SMILES Flexibase

67225501

Analogs

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Popular Name: N-(4-chloro-2-fluoro-phenyl)-5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-(4-chloro-2-fluoro-phenyl)-5-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.05	5.54	-16.56	2	6	0	79	320.711	2	↓ MOL2 SDF SMILES Flexibase

67225503

Analogs

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Popular Name: N-(4-bromo-2-fluoro-phenyl)-5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-(4-bromo-2-fluoro-phenyl)-5-me…

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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)	2.18	5.66	-16.49	2	6	0	79	365.162	2	↓ MOL2 SDF SMILES Flexibase

67225505

Analogs

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Popular Name: N-(2-bromo-4-fluoro-phenyl)-5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-(2-bromo-4-fluoro-phenyl)-5-me…

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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)	2.18	5.76	-16.2	2	6	0	79	365.162	2	↓ MOL2 SDF SMILES Flexibase

67225513

Analogs

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Popular Name: N-(3-chloro-2-methyl-phenyl)-5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-(3-chloro-2-methyl-phenyl)-5-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.31	6.2	-17.54	2	6	0	79	316.748	2	↓ MOL2 SDF SMILES Flexibase

67225527

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-(3-chloro-4-methoxy-phenyl)-5-…

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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)	1.94	4.77	-21.25	2	7	0	89	332.747	3	↓ MOL2 SDF SMILES Flexibase

67225528

Analogs

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Popular Name: N-(5-chloro-2,4-dimethoxy-phenyl)-5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-(5-chloro-2,4-dimethoxy-phenyl…

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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)	1.93	4.17	-19.86	2	8	0	98	362.773	4	↓ MOL2 SDF SMILES Flexibase

67225531

Analogs

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Popular Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-[2-chloro-5-(trifluoromethyl)p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.78	6.53	-17.21	2	6	0	79	370.718	3	↓ MOL2 SDF SMILES Flexibase

67225533

Analogs

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Popular Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-[4-chloro-3-(trifluoromethyl)p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.78	6.34	-18.75	2	6	0	79	370.718	3	↓ MOL2 SDF SMILES Flexibase

67245982

Analogs

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Popular Name: 5,6-dimethyl-N-(o-tolyl)-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide 5,6-dimethyl-N-(o-tolyl)-7-oxo-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)	2.06	6.41	-18.34	2	6	0	79	296.33	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.51	5.05	-50.48	1	6	-1	82	295.322	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 503577
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 = 503577 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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