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ZINC Item

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20614483

Analogs

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Popular Name: 1-methyl-3-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyrazole-4-carboxylic 1-methyl-3-[(4-methyl-1,3-benzot…

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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)	1.97	6.25	-64.68	1	7	-1	100	315.334	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.04	5.11	-130.26	0	7	-2	106	314.326	3	↓ MOL2 SDF SMILES Flexibase

20614747

Analogs

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Popular Name: 3-(1,3-benzothiazol-2-ylcarbamoyl)-1-methyl-pyrazole-4-carboxylic 3-(1,3-benzothiazol-2-ylcarbamoy…

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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)	1.57	5.57	-64.29	1	7	-1	100	301.307	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.64	4.44	-129.28	0	7	-2	106	300.299	3	↓ MOL2 SDF SMILES Flexibase

20614749

Analogs

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Popular Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 3-[(6-methoxy-1,3-benzothiazol-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)	1.61	5.25	-70.4	1	8	-1	109	331.333	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.67	4.11	-132.32	0	8	-2	116	330.325	4	↓ MOL2 SDF SMILES Flexibase

20614841

Analogs

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Popular Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 3-[(5,6-dimethyl-1,3-benzothiazo…

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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)	2.38	6.88	-64.4	1	7	-1	100	329.361	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.44	5.74	-131.08	0	7	-2	106	328.353	3	↓ MOL2 SDF SMILES Flexibase

20614953

Analogs

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Popular Name: 1-methyl-3-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyrazole-4-carboxylic 1-methyl-3-[(6-methyl-1,3-benzot…

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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)	2.00	6.61	-72.03	1	7	-1	100	315.334	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.07	5.48	-135.2	0	7	-2	106	314.326	3	↓ MOL2 SDF SMILES Flexibase

20615050

Analogs

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Popular Name: 3-[(6-bromo-1,3-benzothiazol-2-yl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 3-[(6-bromo-1,3-benzothiazol-2-y…

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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)	2.36	6.18	-60.21	1	7	-1	100	380.203	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.43	5.04	-121.87	0	7	-2	106	379.195	3	↓ MOL2 SDF SMILES Flexibase

20615141

Analogs

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Popular Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 3-[(6-ethoxy-1,3-benzothiazol-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)	1.98	6.18	-70.01	1	8	-1	109	345.36	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.05	5.05	-131.9	0	8	-2	116	344.352	5	↓ MOL2 SDF SMILES Flexibase

20615213

Analogs

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Popular Name: 1-methyl-3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]pyrazole-4-carboxylic 1-methyl-3-[(6-methylsulfonyl-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)	0.42	4.47	-73.23	1	9	-1	134	379.399	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.49	2.33	-136.03	0	9	-2	140	378.391	4	↓ MOL2 SDF SMILES Flexibase

12229199

Analogs

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Popular Name: N-(1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-1,5-dimethyl-pyrazole-3-carboxamide N-(1,3-benzothiazol-2-yl)-N-(2-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)	2.57	1.14	-51.86	1	6	1	55	344.464	5	↓ MOL2 SDF SMILES Flexibase

12229202

Analogs

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Popular Name: N-(1,3-benzothiazol-2-yl)-N-(3-dimethylaminopropyl)-1,5-dimethyl-pyrazole-3-carboxamide N-(1,3-benzothiazol-2-yl)-N-(3-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)	2.84	1.54	-52.43	1	6	1	55	358.491	6	↓ MOL2 SDF SMILES Flexibase

12229204

Analogs

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Popular Name: N-(2-dimethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,5-dimethyl-pyrazole-3-carboxamide N-(2-dimethylaminoethyl)-N-(6-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)	2.60	1.11	-45.92	1	7	1	65	374.49	6	↓ MOL2 SDF SMILES Flexibase

12229209

Analogs

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Popular Name: N-(3-dimethylaminopropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,5-dimethyl-pyrazole-3-carboxamide N-(3-dimethylaminopropyl)-N-(6-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)	2.87	1.52	-47.55	1	7	1	65	388.517	7	↓ MOL2 SDF SMILES Flexibase

12229211

Analogs

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Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-1,5-dimethyl-pyrazole-3-carboxamide N-(6-chloro-1,3-benzothiazol-2-y…

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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)	3.22	0.99	-50.67	1	6	1	55	378.909	5	↓ MOL2 SDF SMILES Flexibase

12229214

Analogs

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Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-dimethylaminopropyl)-1,5-dimethyl-pyrazole-3-carboxamide N-(6-chloro-1,3-benzothiazol-2-y…

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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	1.42	-51.45	1	6	1	55	392.936	6	↓ MOL2 SDF SMILES Flexibase

12229220

Analogs

12229224

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Popular Name: N-(2-dimethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-pyrazole-3-carboxamide N-(2-dimethylaminoethyl)-N-(6-fl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.71	2.16	-50.18	1	6	1	55	362.454	5	↓ MOL2 SDF SMILES Flexibase

12229224

Analogs

12229220

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Popular Name: N-(2-diethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-pyrazole-3-carboxamide N-(2-diethylaminoethyl)-N-(6-flu…

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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)	3.46	2.52	-47.85	1	6	1	55	390.508	7	↓ MOL2 SDF SMILES Flexibase

12229228

Analogs

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Popular Name: N-(3-dimethylaminopropyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-pyrazole-3-carboxamide N-(3-dimethylaminopropyl)-N-(6-f…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.98	2.31	-51.44	1	6	1	55	376.481	6	↓ MOL2 SDF SMILES Flexibase

12229230

Analogs

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Popular Name: N-(2-dimethylaminoethyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-1,5-dimethyl-pyrazole-3-carboxamide N-(2-dimethylaminoethyl)-N-(4-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)	2.58	1.48	-54.62	1	7	1	65	374.49	6	↓ MOL2 SDF SMILES Flexibase

12229234

Analogs

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Popular Name: N-(3-dimethylaminopropyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-1,5-dimethyl-pyrazole-3-carboxamide N-(3-dimethylaminopropyl)-N-(4-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)	2.85	1.63	-56.61	1	7	1	65	388.517	7	↓ MOL2 SDF SMILES Flexibase

12229238

Analogs

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Popular Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-1,5-dimethyl-pyrazole-3-carboxamide N-(4-chloro-1,3-benzothiazol-2-y…

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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)	3.20	1.34	-53.38	1	6	1	55	378.909	5	↓ MOL2 SDF SMILES Flexibase

12229239

Analogs

12229244

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Popular Name: N-(2-dimethylaminoethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-pyrazole-3-carboxamide N-(2-dimethylaminoethyl)-N-(4-fl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.69	2.21	-55.91	1	6	1	55	362.454	5	↓ MOL2 SDF SMILES Flexibase

12229244

Analogs

12229239

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Popular Name: N-(2-diethylaminoethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-pyrazole-3-carboxamide N-(2-diethylaminoethyl)-N-(4-flu…

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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)	3.44	2.53	-53.5	1	6	1	55	390.508	7	↓ MOL2 SDF SMILES Flexibase

12229246

Analogs

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Popular Name: N-(3-dimethylaminopropyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-pyrazole-3-carboxamide N-(3-dimethylaminopropyl)-N-(4-f…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.96	2.34	-58.63	1	6	1	55	376.481	6	↓ MOL2 SDF SMILES Flexibase

12229251

Analogs

12229254

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Popular Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-1,5-dimethyl-pyrazole-3-carboxamide N-(4,6-difluoro-1,3-benzothiazol…

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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)	2.80	2.75	-54.46	1	6	1	55	380.444	5	↓ MOL2 SDF SMILES Flexibase

12229254

Analogs

12229251

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Popular Name: N-(2-diethylaminoethyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-pyrazole-3-carboxamide N-(2-diethylaminoethyl)-N-(4,6-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)	3.55	2.78	-52.39	1	6	1	55	408.498	7	↓ MOL2 SDF SMILES Flexibase

12229257

Analogs

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Popular Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-dimethylaminopropyl)-1,5-dimethyl-pyrazole-3-carboxamide N-(4,6-difluoro-1,3-benzothiazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.07	3.09	-55.49	1	6	1	55	394.471	6	↓ MOL2 SDF SMILES Flexibase

12229260

Analogs

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Popular Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-1,5-dimethyl-pyrazole-3-carboxamide N-(4,7-dimethoxy-1,3-benzothiazo…

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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)	2.59	1.37	-46.19	1	8	1	74	404.516	7	↓ MOL2 SDF SMILES Flexibase

12229265

Analogs

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Popular Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(3-dimethylaminopropyl)-1,5-dimethyl-pyrazole-3-carboxamid N-(4,7-dimethoxy-1,3-benzothiazo…

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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)	2.86	1.52	-49.09	1	8	1	74	418.543	8	↓ MOL2 SDF SMILES Flexibase

12229270

Analogs

12286725

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Popular Name: N-(2-dimethylaminoethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-1,5-dimethyl-pyrazole-3-carbox N-(2-dimethylaminoethyl)-N-(4-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)	2.98	1.72	-43.81	1	7	1	65	388.517	6	↓ MOL2 SDF SMILES Flexibase

12229272

Analogs

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Popular Name: N-(3-dimethylaminopropyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-1,5-dimethyl-pyrazole-3-carbo N-(3-dimethylaminopropyl)-N-(4-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)	3.25	1.86	-46.78	1	7	1	65	402.544	7	↓ MOL2 SDF SMILES Flexibase

12229312

Analogs

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Popular Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-1,5-dimethyl-pyrazole-3-carbox N-(7-chloro-4-methoxy-1,3-benzot…

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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)	3.21	1.29	-52.36	1	7	1	65	408.935	6	↓ MOL2 SDF SMILES Flexibase

12229317

Analogs

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Popular Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(3-dimethylaminopropyl)-1,5-dimethyl-pyrazole-3-carbo N-(7-chloro-4-methoxy-1,3-benzot…

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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)	3.48	1.43	-54.13	1	7	1	65	422.962	7	↓ MOL2 SDF SMILES Flexibase

2091675

Analogs

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Popular Name: 4-nitro-N-{6-nitro-1,3-benzothiazol-2-yl}-1-methyl-1H-pyrazole-3-carboxamide 4-nitro-N-{6-nitro-1,3-benzothia…

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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)	1.90	7.71	-20.46	1	11	0	151	348.3	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.96	6.09	-50.18	0	11	-1	158	347.292	4	↓ MOL2 SDF SMILES Flexibase

2781920

Analogs

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Popular Name: N-(6-bromo-1,3-benzothiazol-2-yl)-1-methyl-4-nitro-pyrazole-3-carboxamide N-(6-bromo-1,3-benzothiazol-2-yl…

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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)	2.75	-0.92	-19.91	1	8	0	105	382.199	3	↓ MOL2 SDF SMILES Flexibase

2786269

Analogs

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Popular Name: 4-bromo-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-1-methyl-pyrazole-3-carboxamide 4-bromo-N-[6-(difluoromethoxy)-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)	3.40	5.58	-16.84	1	6	0	69	403.208	4	↓ MOL2 SDF SMILES Flexibase

2794068

Analogs

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Popular Name: 5-[[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]carbamoyl]-2-methyl-pyrazole-3-carboxylic-acid-ethyl-e 5-[[6-(difluoromethoxy)-1,3-benz…

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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	0.78	-16.43	1	8	0	95	396.375	7	↓ MOL2 SDF SMILES Flexibase

2802028

Analogs

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Popular Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-methyl-4-nitro-pyrazole-3-carboxamide N-(6-acetamido-1,3-benzothiazol-…

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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)	1.16	-1.28	-27.42	2	10	0	134	360.355	4	↓ MOL2 SDF SMILES Flexibase

2807418

Analogs

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Popular Name: N-(1,3-benzothiazol-2-yl)-4-bromo-1-methyl-1H-pyrazole-3-carboxamide N-(1,3-benzothiazol-2-yl)-4-brom…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.81	-1.92	-13.3	1	5	0	59	337.202	2	↓ MOL2 SDF SMILES Flexibase

69210784

Analogs

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Popular Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-nitro-5-propyl-1H-pyrazole-3-carboxamide N-(6-ethoxy-1,3-benzothiazol-2-y…

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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)	3.60	7.22	-19.41	2	9	0	126	375.41	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.60	7.09	-40.13	1	9	-1	124	374.402	7	↓ MOL2 SDF SMILES Flexibase

69210785

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitro-5-propyl-1H-pyrazole-3-carboxamide N-(6-methoxy-1,3-benzothiazol-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.22	6.29	-19.68	2	9	0	126	361.383	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.22	6.16	-40.5	1	9	-1	124	360.375	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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