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13258370

Analogs

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

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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	8.83	-51.99	2	8	-1	116	481.941	7	↓ MOL2 SDF SMILES Flexibase

13258374

Analogs

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

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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	8.42	-52.28	2	8	-1	116	465.486	7	↓ MOL2 SDF SMILES Flexibase

13258549

Analogs

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Popular Name: 3-[[1-[(2-chlorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]-4-methyl-benzoic 3-[[1-[(2-chlorophenyl)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)	5.32	11.06	-67.22	1	6	-1	87	438.916	5	↓ MOL2 SDF SMILES Flexibase

13258554

Analogs

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

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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)	5.97	11.2	-65.88	1	6	-1	87	473.361	5	↓ MOL2 SDF SMILES Flexibase

13258555

Analogs

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Popular Name: 3-[[1-[(2,6-dichlorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]-4-methyl-benzoic 3-[[1-[(2,6-dichlorophenyl)methy…

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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)	5.95	11.24	-65.47	1	6	-1	87	473.361	5	↓ MOL2 SDF SMILES Flexibase

13258556

Analogs

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Popular Name: 3-[[1-[(4-fluorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]-4-methyl-benzoic 3-[[1-[(4-fluorophenyl)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)	4.85	10.7	-67.2	1	6	-1	87	422.461	5	↓ MOL2 SDF SMILES Flexibase

13259427

Analogs

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Popular Name: 3-[[1-[(2-chlorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]benzoic 3-[[1-[(2-chlorophenyl)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)	4.92	10.21	-66.23	1	6	-1	87	424.889	5	↓ MOL2 SDF SMILES Flexibase

13259432

Analogs

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

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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)	5.57	10.35	-65.08	1	6	-1	87	459.334	5	↓ MOL2 SDF SMILES Flexibase

13259433

Analogs

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Popular Name: 3-[[1-[(2,6-dichlorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]benzoic 3-[[1-[(2,6-dichlorophenyl)methy…

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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)	5.55	10.34	-64.75	1	6	-1	87	459.334	5	↓ MOL2 SDF SMILES Flexibase

13259434

Analogs

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Popular Name: 3-[[1-[(4-fluorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]benzoic 3-[[1-[(4-fluorophenyl)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)	4.45	9.8	-66.47	1	6	-1	87	408.434	5	↓ MOL2 SDF SMILES Flexibase

13259644

Analogs

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Popular Name: 4-[[1-[(2-chlorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]benzoic 4-[[1-[(2-chlorophenyl)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)	4.94	10.22	-57.72	1	6	-1	87	424.889	5	↓ MOL2 SDF SMILES Flexibase

13259649

Analogs

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

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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)	5.59	10.35	-56.66	1	6	-1	87	459.334	5	↓ MOL2 SDF SMILES Flexibase

13259650

Analogs

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Popular Name: 4-[[1-[(2,6-dichlorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]benzoic 4-[[1-[(2,6-dichlorophenyl)methy…

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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)	5.57	10.35	-56.66	1	6	-1	87	459.334	5	↓ MOL2 SDF SMILES Flexibase

13259651

Analogs

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Popular Name: 4-[[1-[(4-fluorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]benzoic 4-[[1-[(4-fluorophenyl)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)	4.47	9.82	-57.81	1	6	-1	87	408.434	5	↓ MOL2 SDF SMILES Flexibase

13260129

Analogs

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Popular Name: 5-chloro-2-[[1-[(4-fluorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]benzoic 5-chloro-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)	5.26	10.62	-47.45	1	6	-1	87	442.879	5	↓ MOL2 SDF SMILES Flexibase

13260878

Analogs

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Popular Name: 2-[[1-[(2-chlorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]-4,5-dimethoxy-benzoi 2-[[1-[(2-chlorophenyl)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)	4.70	9.83	-49.3	1	8	-1	106	484.941	7	↓ MOL2 SDF SMILES Flexibase

13260881

Analogs

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Popular Name: 2-[[1-[(4-fluorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]-4,5-dimethoxy-benzoi 2-[[1-[(4-fluorophenyl)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)	4.23	9.42	-50.52	1	8	-1	106	468.486	7	↓ MOL2 SDF SMILES Flexibase

13261095

Analogs

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Popular Name: 5-chloro-4-[[1-[(2-chlorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]-2-methoxy-b 5-chloro-4-[[1-[(2-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)	5.61	10.94	-56.24	1	7	-1	96	489.36	6	↓ MOL2 SDF SMILES Flexibase

13261100

Analogs

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Popular Name: 5-chloro-4-[[1-[(4-fluorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]-2-methoxy-b 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)	5.15	10.53	-56.73	1	7	-1	96	472.905	6	↓ MOL2 SDF SMILES Flexibase

13261318

Analogs

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Popular Name: 2-[[1-[(2-chlorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]benzoic 2-[[1-[(2-chlorophenyl)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)	5.07	10.59	-50.81	1	6	-1	87	424.889	5	↓ MOL2 SDF SMILES Flexibase

13261321

Analogs

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Popular Name: 2-[[1-[(4-fluorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]benzoic 2-[[1-[(4-fluorophenyl)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)	4.61	10.18	-52.08	1	6	-1	87	408.434	5	↓ MOL2 SDF SMILES Flexibase

23010058

Analogs

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

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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)	4.30	11.36	-16.7	1	4	0	47	389.455	4	↓ MOL2 SDF SMILES Flexibase

13404108

Analogs

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Popular Name: (E)-3-[4-[[1-[(2-chlorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]phenyl]prop-2- (E)-3-[4-[[1-[(2-chlorophenyl)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)	5.00	11.45	-57.44	1	6	-1	87	450.927	6	↓ MOL2 SDF SMILES Flexibase

13404119

Analogs

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Popular Name: (E)-3-[4-[[1-[(4-fluorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]phenyl]prop-2- (E)-3-[4-[[1-[(4-fluorophenyl)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)	4.54	11.04	-57.63	1	6	-1	87	434.472	6	↓ MOL2 SDF SMILES Flexibase

13425719

Analogs

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Popular Name: 4-chloro-2-[[1-[(4-fluorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]benzoic 4-chloro-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)	5.26	10.69	-46.73	1	6	-1	87	442.879	5	↓ MOL2 SDF SMILES Flexibase

13425939

Analogs

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Popular Name: 4-chloro-3-[[1-[(2-chlorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]benzoic 4-chloro-3-[[1-[(2-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)	5.55	10.86	-57.82	1	6	-1	87	459.334	5	↓ MOL2 SDF SMILES Flexibase

13425944

Analogs

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

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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)	6.20	10.99	-56.85	1	6	-1	87	493.779	5	↓ MOL2 SDF SMILES Flexibase

13425945

Analogs

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Popular Name: 4-chloro-3-[[1-[(2,6-dichlorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]benzoic 4-chloro-3-[[1-[(2,6-dichlorophe…

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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)	6.18	10.99	-56.95	1	6	-1	87	493.779	5	↓ MOL2 SDF SMILES Flexibase

13425946

Analogs

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Popular Name: 4-chloro-3-[[1-[(4-fluorophenyl)methyl]-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)	5.08	10.45	-58.01	1	6	-1	87	442.879	5	↓ MOL2 SDF SMILES Flexibase

13426290

Analogs

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Popular Name: 5-[[1-[(4-fluorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]benzene-1,3-dicarboxy 5-[[1-[(4-fluorophenyl)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)	4.31	9.42	-120.98	1	8	-2	127	451.435	6	↓ MOL2 SDF SMILES Flexibase

13428429

Analogs

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Popular Name: 2-[[1-[(2-chlorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]amino]-4-fluoro-benzoic 2-[[1-[(2-chlorophenyl)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)	5.21	10.66	-45.13	1	6	-1	87	442.879	5	↓ MOL2 SDF SMILES Flexibase

13428432

Analogs

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Popular Name: 4-fluoro-2-[[1-[(4-fluorophenyl)methyl]-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)	4.75	10.25	-46.32	1	6	-1	87	426.424	5	↓ MOL2 SDF SMILES Flexibase

58305578

Analogs

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Popular Name: 1-[(2-chlorophenyl)methyl]-N-[2-(difluoromethoxy)-6-methyl-phenyl]-3-methyl-thieno[2,3-c]pyrazole-5- 1-[(2-chlorophenyl)methyl]-N-[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)	6.00	10.89	-13.57	1	5	0	56	461.921	6	↓ MOL2 SDF SMILES Flexibase

14241580

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16488071

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Popular Name: 1-benzyl-3-methyl-N-[3-(methylcarbamoyl)phenyl]thieno[4,5-d]pyrazole-5-carboxamide 1-benzyl-3-methyl-N-[3-(methylca…

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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)	3.57	8.39	-21.4	2	6	0	76	404.495	5	↓ MOL2 SDF SMILES Flexibase

14253607

Analogs

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Popular Name: N-(3-amino-3-oxo-propyl)-1-benzyl-N-(4-fluorophenyl)-3-methyl-thieno[4,5-d]pyrazole-5-carboxamide N-(3-amino-3-oxo-propyl)-1-benzy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.81	8.68	-13.11	2	6	0	81	436.512	7	↓ MOL2 SDF SMILES Flexibase

14572969

Analogs

36656116

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Popular Name: N-[3-(ethylcarbamoyl)phenyl]-1-[(4-fluorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carboxamide N-[3-(ethylcarbamoyl)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)	4.11	9.31	-21.97	2	6	0	76	436.512	6	↓ MOL2 SDF SMILES Flexibase

69728009

Analogs

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Popular Name: N-(2,3-dimethyl-5-sulfamoyl-phenyl)-1-[(4-fluorophenyl)methyl]-3-methyl-thieno[2,3-c]pyrazole-5-carb N-(2,3-dimethyl-5-sulfamoyl-phen…

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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)	4.01	6.55	-19.4	3	7	0	107	472.567	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 120285
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 = 120285 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=120285&filter.purchasability=annotated

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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "120285"        

    });
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