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ZINC Item

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20615786

Analogs

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Popular Name: N-(3,5-dichlorophenyl)-1-methyl-3-(trifluoromethyl)thieno[4,5-d]pyrazole-5-carboxamide N-(3,5-dichlorophenyl)-1-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)	5.00	7.62	-11.87	1	4	0	47	394.205	3	↓ MOL2 SDF SMILES Flexibase

20615994

Analogs

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Popular Name: N-(2,4-dimethylphenyl)-1-methyl-3-(trifluoromethyl)thieno[4,5-d]pyrazole-5-carboxamide N-(2,4-dimethylphenyl)-1-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)	4.54	8.06	-12.77	1	4	0	47	353.369	3	↓ MOL2 SDF SMILES Flexibase

20615996

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethylphenyl)-1-methyl-3-(trifluoromethyl)thieno[4,5-d]pyrazole-5-carboxamide N-(3,5-dimethylphenyl)-1-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)	4.54	7.91	-12.74	1	4	0	47	353.369	3	↓ MOL2 SDF SMILES Flexibase

20616000

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-1-methyl-3-(trifluoromethyl)thieno[4,5-d]pyrazole-5-carboxamide N-(3-chloro-4-methoxy-phenyl)-1-…

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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)	4.38	6.46	-16.52	1	5	0	56	389.786	4	↓ MOL2 SDF SMILES Flexibase

20616011

Analogs

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Popular Name: N-(4-bromo-2-fluoro-phenyl)-1-methyl-3-(trifluoromethyl)thieno[4,5-d]pyrazole-5-carboxamide N-(4-bromo-2-fluoro-phenyl)-1-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)	4.62	7.32	-9.23	1	4	0	47	422.201	3	↓ MOL2 SDF SMILES Flexibase

20616013

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-difluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[4,5-d]pyrazole-5-carboxamide N-(2,5-difluorophenyl)-1-methyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.97	6.76	-11.54	1	4	0	47	361.295	3	↓ MOL2 SDF SMILES Flexibase

20616014

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[4,5-d]pyrazole-5-carboxamide N-(3,4-difluorophenyl)-1-methyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.97	6.71	-16.62	1	4	0	47	361.295	3	↓ MOL2 SDF SMILES Flexibase

20616016

Analogs

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Popular Name: N-(4-ethoxyphenyl)-1-methyl-3-(trifluoromethyl)thieno[4,5-d]pyrazole-5-carboxamide N-(4-ethoxyphenyl)-1-methyl-3-(t…

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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)	4.15	6.83	-14.22	1	5	0	56	369.368	5	↓ MOL2 SDF SMILES Flexibase

20616034

Analogs

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Popular Name: N-(2,3-dichlorophenyl)-1-methyl-3-(trifluoromethyl)thieno[4,5-d]pyrazole-5-carboxamide N-(2,3-dichlorophenyl)-1-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)	4.98	7.69	-9.38	1	4	0	47	394.205	3	↓ MOL2 SDF SMILES Flexibase

20616037

Analogs

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Popular Name: N-(2-fluoro-5-methyl-phenyl)-1-methyl-3-(trifluoromethyl)thieno[4,5-d]pyrazole-5-carboxamide N-(2-fluoro-5-methyl-phenyl)-1-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)	4.26	7.36	-10.39	1	4	0	47	357.332	3	↓ MOL2 SDF SMILES Flexibase

20616044

Analogs

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Popular Name: N-(3-chlorophenyl)-1-methyl-3-(trifluoromethyl)thieno[4,5-d]pyrazole-5-carboxamide N-(3-chlorophenyl)-1-methyl-3-(t…

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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	7.1	-14.35	1	4	0	47	359.76	3	↓ MOL2 SDF SMILES Flexibase

20616045

Analogs

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Popular Name: 1-methyl-N-(m-tolyl)-3-(trifluoromethyl)thieno[4,5-d]pyrazole-5-carboxamide 1-methyl-N-(m-tolyl)-3-(trifluor…

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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)	4.14	7.25	-12.85	1	4	0	47	339.342	3	↓ MOL2 SDF SMILES Flexibase

20616046

Analogs

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Popular Name: N-(3-fluorophenyl)-1-methyl-3-(trifluoromethyl)thieno[4,5-d]pyrazole-5-carboxamide N-(3-fluorophenyl)-1-methyl-3-(t…

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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)	3.86	6.65	-15.44	1	4	0	47	343.305	3	↓ MOL2 SDF SMILES Flexibase

20616047

Analogs

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Popular Name: N-(2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)thieno[4,5-d]pyrazole-5-carboxamide N-(2-methoxyphenyl)-1-methyl-3-(…

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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)	3.73	6.04	-11.83	1	5	0	56	355.341	4	↓ MOL2 SDF SMILES Flexibase

20616048

Analogs

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Popular Name: 1-methyl-N-(o-tolyl)-3-(trifluoromethyl)thieno[4,5-d]pyrazole-5-carboxamide 1-methyl-N-(o-tolyl)-3-(trifluor…

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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)	4.12	7.39	-12.63	1	4	0	47	339.342	3	↓ MOL2 SDF SMILES Flexibase

20616050

Analogs

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Popular Name: N-(2,5-dimethylphenyl)-1-methyl-3-(trifluoromethyl)thieno[4,5-d]pyrazole-5-carboxamide N-(2,5-dimethylphenyl)-1-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)	4.54	8.13	-12.73	1	4	0	47	353.369	3	↓ MOL2 SDF SMILES Flexibase

20616052

Analogs

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Popular Name: N-(3-chloro-4-methyl-phenyl)-1-methyl-3-(trifluoromethyl)thieno[4,5-d]pyrazole-5-carboxamide N-(3-chloro-4-methyl-phenyl)-1-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)	4.77	7.73	-14.37	1	4	0	47	373.787	3	↓ MOL2 SDF SMILES Flexibase

20616053

Analogs

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Popular Name: N-(3-acetylphenyl)-1-methyl-3-(trifluoromethyl)thieno[4,5-d]pyrazole-5-carboxamide N-(3-acetylphenyl)-1-methyl-3-(t…

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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	6.96	-21.96	1	5	0	64	367.352	4	↓ MOL2 SDF SMILES Flexibase

20616133

Analogs

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Popular Name: N-(2-ethylphenyl)-1-methyl-3-(trifluoromethyl)thieno[4,5-d]pyrazole-5-carboxamide N-(2-ethylphenyl)-1-methyl-3-(tr…

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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)	4.58	8.24	-11.87	1	4	0	47	353.369	4	↓ MOL2 SDF SMILES Flexibase

20616147

Analogs

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Popular Name: N-[3-chloro-4-(difluoromethoxy)phenyl]-1-methyl-3-(trifluoromethyl)thieno[4,5-d]pyrazole-5-carboxami N-[3-chloro-4-(difluoromethoxy)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)	4.94	6.71	-15.9	1	5	0	56	425.766	5	↓ MOL2 SDF SMILES Flexibase

20616156

Analogs

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Popular Name: N-(2-cyanophenyl)-1-methyl-3-(trifluoromethyl)thieno[4,5-d]pyrazole-5-carboxamide N-(2-cyanophenyl)-1-methyl-3-(tr…

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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)	3.43	7.04	-10.85	1	5	0	71	350.325	3	↓ MOL2 SDF SMILES Flexibase

13258499

Analogs

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Popular Name: 2-[[4-[(1,3-dimethylthieno[4,5-d]pyrazole-5-carbonyl)amino]benzoyl]amino]acetic 2-[[4-[(1,3-dimethylthieno[4,5-d…

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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)	0.33	4.46	-51.09	2	8	-1	116	371.398	5	↓ MOL2 SDF SMILES Flexibase

13258753

Analogs

37979955

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Popular Name: 3-[(1,3-dimethylthieno[4,5-d]pyrazole-5-carbonyl)amino]-4-methyl-benzoic 3-[(1,3-dimethylthieno[4,5-d]pyr…

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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	6.76	-65.76	1	6	-1	87	328.373	3	↓ MOL2 SDF SMILES Flexibase

13259623

Analogs

37979955

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Popular Name: 3-[(1,3-dimethylthieno[4,5-d]pyrazole-5-carbonyl)amino]benzoic 3-[(1,3-dimethylthieno[4,5-d]pyr…

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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	5.86	-64.98	1	6	-1	87	314.346	3	↓ MOL2 SDF SMILES Flexibase

13259842

Analogs

37979955

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Popular Name: 4-[(1,3-dimethylthieno[4,5-d]pyrazole-5-carbonyl)amino]benzoic 4-[(1,3-dimethylthieno[4,5-d]pyr…

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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	5.87	-55.93	1	6	-1	87	314.346	3	↓ MOL2 SDF SMILES Flexibase

13260330

Analogs

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Popular Name: 5-chloro-2-[(1,3-dimethylthieno[4,5-d]pyrazole-5-carbonyl)amino]benzoic 5-chloro-2-[(1,3-dimethylthieno[…

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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)	3.50	6.73	-46.83	1	6	-1	87	348.791	3	↓ MOL2 SDF SMILES Flexibase

13260520

Analogs

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Popular Name: 5-bromo-2-[(1,3-dimethylthieno[4,5-d]pyrazole-5-carbonyl)amino]benzoic 5-bromo-2-[(1,3-dimethylthieno[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)	3.63	6.83	-46.79	1	6	-1	87	393.242	3	↓ MOL2 SDF SMILES Flexibase

13261073

Analogs

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Popular Name: 2-[(1,3-dimethylthieno[4,5-d]pyrazole-5-carbonyl)amino]-4,5-dimethoxy-benzoic 2-[(1,3-dimethylthieno[4,5-d]pyr…

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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)	2.47	5.39	-49.45	1	8	-1	106	374.398	5	↓ MOL2 SDF SMILES Flexibase

13261284

Analogs

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Popular Name: 5-chloro-4-[(1,3-dimethylthieno[4,5-d]pyrazole-5-carbonyl)amino]-2-methoxy-benzoic 5-chloro-4-[(1,3-dimethylthieno[…

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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	6.58	-55.58	1	7	-1	96	378.817	4	↓ MOL2 SDF SMILES Flexibase

13404643

Analogs

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Popular Name: (E)-3-[4-[(1,3-dimethylthieno[4,5-d]pyrazole-5-carbonyl)amino]phenyl]prop-2-enoic (E)-3-[4-[(1,3-dimethylthieno[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)	2.78	7.09	-56.53	1	6	-1	87	340.384	4	↓ MOL2 SDF SMILES Flexibase

13425905

Analogs

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Popular Name: 4-chloro-2-[(1,3-dimethylthieno[4,5-d]pyrazole-5-carbonyl)amino]benzoic 4-chloro-2-[(1,3-dimethylthieno[…

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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)	3.50	6.71	-46.34	1	6	-1	87	348.791	3	↓ MOL2 SDF SMILES Flexibase

13426168

Analogs

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Popular Name: 4-chloro-3-[(1,3-dimethylthieno[4,5-d]pyrazole-5-carbonyl)amino]benzoic 4-chloro-3-[(1,3-dimethylthieno[…

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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)	3.32	6.5	-56.79	1	6	-1	87	348.791	3	↓ MOL2 SDF SMILES Flexibase

13426452

Analogs

37979955

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Popular Name: 5-[(1,3-dimethylthieno[4,5-d]pyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylic 5-[(1,3-dimethylthieno[4,5-d]pyr…

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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)	2.55	5.47	-120	1	8	-2	127	357.347	4	↓ MOL2 SDF SMILES Flexibase

13428641

Analogs

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Popular Name: 2-[(1,3-dimethylthieno[4,5-d]pyrazole-5-carbonyl)amino]-4-fluoro-benzoic 2-[(1,3-dimethylthieno[4,5-d]pyr…

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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)	2.99	6.27	-45.97	1	6	-1	87	332.336	3	↓ MOL2 SDF SMILES Flexibase

1382673

Analogs

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Popular Name: 1-methyl-3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1H-thieno[2,3-c]pyrazole-5-carboxamide 1-methyl-3-(trifluoromethyl)-N-[…

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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)	4.59	3.48	-13.8	1	4	0	46	393.312	4	↓ MOL2 SDF SMILES Flexibase

1382675

Analogs

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Popular Name: N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide N-(2,4-difluorophenyl)-1-methyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.97	6.78	-8.36	1	4	0	47	361.295	3	↓ MOL2 SDF SMILES Flexibase

1382677

Analogs

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Popular Name: N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide N-(4-chlorophenyl)-1-methyl-3-(t…

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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)	4.40	7.12	-10.77	1	4	0	47	359.76	3	↓ MOL2 SDF SMILES Flexibase

14241201

Analogs

16488071
23359619

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Popular Name: N-[3-(diethylcarbamoyl)phenyl]-1,3-dimethyl-thieno[4,5-d]pyrazole-5-carboxamide N-[3-(diethylcarbamoyl)phenyl]-1…

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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)	2.50	7.97	-15.77	1	6	0	67	370.478	5	↓ MOL2 SDF SMILES Flexibase

14241447

Analogs

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Popular Name: N-[3-(tert-butylsulfamoyl)phenyl]-1-isobutyl-3-methyl-thieno[4,5-d]pyrazole-5-carboxamide N-[3-(tert-butylsulfamoyl)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)	4.16	6.3	-13.04	2	7	0	93	448.614	7	↓ MOL2 SDF SMILES Flexibase

14247174

Analogs

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Popular Name: N-(4-fluorophenyl)-1,3-dimethyl-thieno[4,5-d]pyrazole-5-carboxamide N-(4-fluorophenyl)-1,3-dimethyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.97	6.31	-10.17	1	4	0	47	289.335	2	↓ MOL2 SDF SMILES Flexibase

14247395

Analogs

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Popular Name: N-(2-hydroxyphenyl)-1-isobutyl-3-methyl-thieno[4,5-d]pyrazole-5-carboxamide N-(2-hydroxyphenyl)-1-isobutyl-3…

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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)	3.66	5.91	-9.48	2	5	0	67	329.425	4	↓ MOL2 SDF SMILES Flexibase

66432066

Analogs

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Popular Name: N-[5-fluoro-2-(2-methoxyethoxy)phenyl]-1,3-dimethyl-thieno[2,3-c]pyrazole-5-carboxamide N-[5-fluoro-2-(2-methoxyethoxy)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)	2.84	5.92	-13.27	1	6	0	65	363.414	6	↓ MOL2 SDF SMILES Flexibase

55553773

Analogs

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Popular Name: N-[4-(2-diethylaminoethyloxy)phenyl]-1,3-dimethyl-thieno[2,3-c]pyrazole-5-carboxamide N-[4-(2-diethylaminoethyloxy)phe…

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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)	3.64	9.25	-42.77	2	6	1	61	387.529	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.64	7.1	-11.85	1	6	0	59	386.521	8	↓ MOL2 SDF SMILES Flexibase

67241045

Analogs

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Popular Name: 1,3-dimethyl-N-[4-(ureidomethyl)phenyl]thieno[2,3-c]pyrazole-5-carboxamide 1,3-dimethyl-N-[4-(ureidomethyl)…

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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)	1.64	2.46	-15.65	4	7	0	102	343.412	4	↓ MOL2 SDF SMILES Flexibase

70331032

Analogs

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Popular Name: N-[4-(hydroxymethyl)phenyl]-1,3-dimethyl-thieno[2,3-c]pyrazole-5-carboxamide N-[4-(hydroxymethyl)phenyl]-1,3-…

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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)	2.14	3.57	-12.63	2	5	0	67	301.371	3	↓ MOL2 SDF SMILES Flexibase

49362389

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(hydroxymethyl)phenyl]-1,3-dimethyl-thieno[2,3-c]pyrazole-5-carboxamide N-[2-(hydroxymethyl)phenyl]-1,3-…

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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)	2.10	3.87	-11.63	2	5	0	67	301.371	3	↓ MOL2 SDF SMILES Flexibase

68030828

Analogs

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Popular Name: N-(2-chloro-4-methoxy-phenyl)-1,3-dimethyl-thieno[2,3-c]pyrazole-5-carboxamide N-(2-chloro-4-methoxy-phenyl)-1,…

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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)	3.47	6.16	-9.01	1	5	0	56	335.816	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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