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5561858

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethoxyphenyl)-2-methyl-4-(o-tolyl)-6-thia-3,4-diazabicyclo[3.3.0]octa-2,7,9-triene-7-carboxamid N-(2-ethoxyphenyl)-2-methyl-4-(o…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.08	0.67	-11.11	1	5	0	56	391.496	5	↓ MOL2 SDF SMILES Flexibase

20615953

Analogs

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Popular Name: N-(2,3-dimethoxyphenyl)-1-phenyl-3-(trifluoromethyl)thieno[4,5-d]pyrazole-5-carboxamide N-(2,3-dimethoxyphenyl)-1-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)	4.81	9.44	-11.91	1	6	0	65	447.438	6	↓ MOL2 SDF SMILES Flexibase

20616112

Analogs

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Popular Name: N-(3-fluoro-4-methyl-phenyl)-3-methyl-1-phenyl-thieno[4,5-d]pyrazole-5-carboxamide N-(3-fluoro-4-methyl-phenyl)-3-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)	4.62	10.37	-14.84	1	4	0	47	365.433	3	↓ MOL2 SDF SMILES Flexibase

20616116

Analogs

2406835

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Popular Name: N-(2,5-dimethylphenyl)-3-methyl-1-phenyl-thieno[4,5-d]pyrazole-5-carboxamide N-(2,5-dimethylphenyl)-3-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)	4.90	11.19	-12.35	1	4	0	47	361.47	3	↓ MOL2 SDF SMILES Flexibase

13258398

Analogs

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

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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)	1.61	7.88	-52	2	8	-1	116	433.469	6	↓ MOL2 SDF SMILES Flexibase

13258403

Analogs

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Popular Name: 2-[[4-[[1-(4-fluorophenyl)-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]benzoyl]amino]acetic 2-[[4-[[1-(4-fluorophenyl)-3-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)	1.77	7.95	-50.64	2	8	-1	116	451.459	6	↓ MOL2 SDF SMILES Flexibase

13258490

Analogs

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Popular Name: 2-[[4-[[1-(3-chlorophenyl)-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]benzoyl]amino]acetic 2-[[4-[[1-(3-chlorophenyl)-3-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)	2.47	8.41	-51.11	2	8	-1	116	467.914	6	↓ MOL2 SDF SMILES Flexibase

13258599

Analogs

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Popular Name: 4-methyl-3-[[3-methyl-1-[3-(trifluoromethyl)phenyl]thieno[4,5-d]pyrazole-5-carbonyl]amino]benzoic 4-methyl-3-[[3-methyl-1-[3-(trif…

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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)	5.45	11.15	-66.63	1	6	-1	87	458.441	5	↓ MOL2 SDF SMILES Flexibase

13258604

Analogs

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Popular Name: 4-methyl-3-[(3-methyl-1-phenyl-thieno[4,5-d]pyrazole-5-carbonyl)amino]benzoic 4-methyl-3-[(3-methyl-1-phenyl-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	10.08	-66.44	1	6	-1	87	390.444	4	↓ MOL2 SDF SMILES Flexibase

13258613

Analogs

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Popular Name: 3-[[1-(4-fluorophenyl)-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]-4-methyl-benzoic 3-[[1-(4-fluorophenyl)-3-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)	4.53	10.19	-64.54	1	6	-1	87	408.434	4	↓ MOL2 SDF SMILES Flexibase

13258740

Analogs

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Popular Name: 3-[[1-(3-chlorophenyl)-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]-4-methyl-benzoic 3-[[1-(3-chlorophenyl)-3-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)	5.23	10.64	-64.7	1	6	-1	87	424.889	4	↓ MOL2 SDF SMILES Flexibase

13259472

Analogs

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Popular Name: 3-[[3-methyl-1-[3-(trifluoromethyl)phenyl]thieno[4,5-d]pyrazole-5-carbonyl]amino]benzoic 3-[[3-methyl-1-[3-(trifluorometh…

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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)	5.05	10.3	-65.66	1	6	-1	87	444.414	5	↓ MOL2 SDF SMILES Flexibase

13259476

Analogs

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

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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)	3.97	9.28	-65.56	1	6	-1	87	376.417	4	↓ MOL2 SDF SMILES Flexibase

13259485

Analogs

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Popular Name: 3-[[1-(4-fluorophenyl)-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]benzoic 3-[[1-(4-fluorophenyl)-3-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)	4.13	9.35	-63.8	1	6	-1	87	394.407	4	↓ MOL2 SDF SMILES Flexibase

13259611

Analogs

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Popular Name: 3-[[1-(3-chlorophenyl)-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]benzoic 3-[[1-(3-chlorophenyl)-3-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)	4.83	9.8	-64.39	1	6	-1	87	410.862	4	↓ MOL2 SDF SMILES Flexibase

13259689

Analogs

3372519

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Popular Name: 4-[[3-methyl-1-[3-(trifluoromethyl)phenyl]thieno[4,5-d]pyrazole-5-carbonyl]amino]benzoic 4-[[3-methyl-1-[3-(trifluorometh…

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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)	5.07	10.31	-57.1	1	6	-1	87	444.414	5	↓ MOL2 SDF SMILES Flexibase

13259693

Analogs

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

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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)	3.99	9.29	-57.49	1	6	-1	87	376.417	4	↓ MOL2 SDF SMILES Flexibase

13259702

Analogs

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Popular Name: 4-[[1-(4-fluorophenyl)-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]benzoic 4-[[1-(4-fluorophenyl)-3-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)	4.15	9.36	-55.31	1	6	-1	87	394.407	4	↓ MOL2 SDF SMILES Flexibase

13259829

Analogs

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Popular Name: 4-[[1-(3-chlorophenyl)-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]benzoic 4-[[1-(3-chlorophenyl)-3-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)	4.86	9.81	-55.95	1	6	-1	87	410.862	4	↓ MOL2 SDF SMILES Flexibase

13260174

Analogs

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Popular Name: 5-chloro-2-[(3-methyl-1-phenyl-thieno[4,5-d]pyrazole-5-carbonyl)amino]benzoic 5-chloro-2-[(3-methyl-1-phenyl-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)	4.78	10.1	-48.68	1	6	-1	87	410.862	4	↓ MOL2 SDF SMILES Flexibase

13260923

Analogs

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Popular Name: 4,5-dimethoxy-2-[(3-methyl-1-phenyl-thieno[4,5-d]pyrazole-5-carbonyl)amino]benzoic 4,5-dimethoxy-2-[(3-methyl-1-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)	3.75	8.86	-52.1	1	8	-1	106	436.469	6	↓ MOL2 SDF SMILES Flexibase

13260928

Analogs

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Popular Name: 2-[[1-(4-fluorophenyl)-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]-4,5-dimethoxy-benzoic 2-[[1-(4-fluorophenyl)-3-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)	3.91	8.96	-49.5	1	8	-1	106	454.459	6	↓ MOL2 SDF SMILES Flexibase

13261059

Analogs

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Popular Name: 2-[[1-(3-chlorophenyl)-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]-4,5-dimethoxy-benzoic 2-[[1-(3-chlorophenyl)-3-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)	4.61	9.41	-52.4	1	8	-1	106	470.914	6	↓ MOL2 SDF SMILES Flexibase

13261137

Analogs

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Popular Name: 5-chloro-2-methoxy-4-[(3-methyl-1-phenyl-thieno[4,5-d]pyrazole-5-carbonyl)amino]benzoic 5-chloro-2-methoxy-4-[(3-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)	4.66	9.97	-56.53	1	7	-1	96	440.888	5	↓ MOL2 SDF SMILES Flexibase

13261142

Analogs

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

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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)	4.83	10.07	-55.17	1	7	-1	96	458.878	5	↓ MOL2 SDF SMILES Flexibase

13261271

Analogs

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

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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)	5.53	10.53	-55.99	1	7	-1	96	475.333	5	↓ MOL2 SDF SMILES Flexibase

13261361

Analogs

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

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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)	4.12	9.66	-53.39	1	6	-1	87	376.417	4	↓ MOL2 SDF SMILES Flexibase

13261369

Analogs

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Popular Name: 2-[[1-(4-fluorophenyl)-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]benzoic 2-[[1-(4-fluorophenyl)-3-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)	4.29	9.72	-50.97	1	6	-1	87	394.407	4	↓ MOL2 SDF SMILES Flexibase

13261489

Analogs

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Popular Name: 2-[[1-(3-chlorophenyl)-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]benzoic 2-[[1-(3-chlorophenyl)-3-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)	4.99	10.17	-54.06	1	6	-1	87	410.862	4	↓ MOL2 SDF SMILES Flexibase

23019680

Analogs

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

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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	7.12	-23.16	2	7	0	93	460.968	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.15	7.21	-49.5	1	7	-1	95	459.96	5	↓ MOL2 SDF SMILES Flexibase

13404264

Analogs

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Popular Name: (E)-3-[4-[[3-methyl-1-[3-(trifluoromethyl)phenyl]thieno[4,5-d]pyrazole-5-carbonyl]amino]phenyl]prop- (E)-3-[4-[[3-methyl-1-[3-(triflu…

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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)	5.13	11.54	-57.9	1	6	-1	87	470.452	6	↓ MOL2 SDF SMILES Flexibase

13404278

Analogs

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Popular Name: (E)-3-[4-[(3-methyl-1-phenyl-thieno[4,5-d]pyrazole-5-carbonyl)amino]phenyl]prop-2-enoic (E)-3-[4-[(3-methyl-1-phenyl-thi…

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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)	4.05	10.52	-57.31	1	6	-1	87	402.455	5	↓ MOL2 SDF SMILES Flexibase

13404309

Analogs

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Popular Name: (E)-3-[4-[[1-(4-fluorophenyl)-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]phenyl]prop-2-enoic (E)-3-[4-[[1-(4-fluorophenyl)-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)	4.22	10.58	-56.07	1	6	-1	87	420.445	5	↓ MOL2 SDF SMILES Flexibase

13404610

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Popular Name: (E)-3-[4-[[1-(3-chlorophenyl)-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]phenyl]prop-2-enoic (E)-3-[4-[[1-(3-chlorophenyl)-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)	4.92	11.04	-56.57	1	6	-1	87	436.9	5	↓ MOL2 SDF SMILES Flexibase

13425763

Analogs

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Popular Name: 4-chloro-2-[(3-methyl-1-phenyl-thieno[4,5-d]pyrazole-5-carbonyl)amino]benzoic 4-chloro-2-[(3-methyl-1-phenyl-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)	4.78	10.15	-47.9	1	6	-1	87	410.862	4	↓ MOL2 SDF SMILES Flexibase

13425992

Analogs

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Popular Name: 4-chloro-3-[[3-methyl-1-[3-(trifluoromethyl)phenyl]thieno[4,5-d]pyrazole-5-carbonyl]amino]benzoic 4-chloro-3-[[3-methyl-1-[3-(trif…

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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)	5.68	10.94	-57.65	1	6	-1	87	478.859	5	↓ MOL2 SDF SMILES Flexibase

13425997

Analogs

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Popular Name: 4-chloro-3-[(3-methyl-1-phenyl-thieno[4,5-d]pyrazole-5-carbonyl)amino]benzoic 4-chloro-3-[(3-methyl-1-phenyl-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)	4.60	9.93	-57.38	1	6	-1	87	410.862	4	↓ MOL2 SDF SMILES Flexibase

13426005

Analogs

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

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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)	4.76	10	-55.71	1	6	-1	87	428.852	4	↓ MOL2 SDF SMILES Flexibase

13426155

Analogs

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

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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)	5.46	10.44	-56.43	1	6	-1	87	445.307	4	↓ MOL2 SDF SMILES Flexibase

13426313

Analogs

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Popular Name: 5-[[3-methyl-1-[3-(trifluoromethyl)phenyl]thieno[4,5-d]pyrazole-5-carbonyl]amino]benzene-1,3-dicarbo 5-[[3-methyl-1-[3-(trifluorometh…

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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)	4.91	9.91	-120.19	1	8	-2	127	487.415	6	↓ MOL2 SDF SMILES Flexibase

13426318

Analogs

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

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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)	3.83	8.9	-120.88	1	8	-2	127	419.418	5	↓ MOL2 SDF SMILES Flexibase

13426325

Analogs

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Popular Name: 5-[[1-(4-fluorophenyl)-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]benzene-1,3-dicarboxylic 5-[[1-(4-fluorophenyl)-3-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)	3.99	8.96	-118.96	1	8	-2	127	437.408	5	↓ MOL2 SDF SMILES Flexibase

13426440

Analogs

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Popular Name: 5-[[1-(3-chlorophenyl)-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]benzene-1,3-dicarboxylic 5-[[1-(3-chlorophenyl)-3-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)	4.69	9.43	-120.5	1	8	-2	127	453.863	5	↓ MOL2 SDF SMILES Flexibase

13428479

Analogs

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Popular Name: 4-fluoro-2-[(3-methyl-1-phenyl-thieno[4,5-d]pyrazole-5-carbonyl)amino]benzoic 4-fluoro-2-[(3-methyl-1-phenyl-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)	4.26	9.7	-47.5	1	6	-1	87	394.407	4	↓ MOL2 SDF SMILES Flexibase

13428486

Analogs

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

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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)	4.43	9.77	-45.3	1	6	-1	87	412.397	4	↓ MOL2 SDF SMILES Flexibase

541870

Analogs

2307624
2412414
48925

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

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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)	4.53	0.34	-10.86	1	4	0	46	347.443	3	↓ MOL2 SDF SMILES Flexibase

14229815

Analogs

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Popular Name: 1-(4-fluorophenyl)-3-methyl-N-(4-methylsulfonylphenyl)thieno[4,5-d]pyrazole-5-carboxamide 1-(4-fluorophenyl)-3-methyl-N-(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)	3.11	7.27	-18.3	1	6	0	81	429.498	4	↓ MOL2 SDF SMILES Flexibase

14245539

Analogs

9053902

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Popular Name: N-[3-(dimethylcarbamoyl)phenyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]thieno[4,5-d]pyrazole-5-carbox N-[3-(dimethylcarbamoyl)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)	4.11	10.53	-22.1	1	6	0	67	472.492	5	↓ MOL2 SDF SMILES Flexibase

14247389

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.98	6.99	-9.96	2	5	0	67	367.405	3	↓ MOL2 SDF SMILES Flexibase

15940498

Analogs

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Popular Name: N-[5-(dimethylsulfamoyl)-2-methoxy-phenyl]-3-methyl-1-phenyl-thieno[4,5-d]pyrazole-5-carboxamide N-[5-(dimethylsulfamoyl)-2-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)	3.38	7.07	-19.04	1	8	0	94	470.576	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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