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ZINC Item

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65156258

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-phenyl-urea 1-[2-(1-ethylpyrrolo[2,3-b]pyrid…

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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)	2.94	8.53	-15.91	2	5	0	59	308.385	5	↓ MOL2 SDF SMILES Flexibase

65156260

Analogs

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Popular Name: 1-(3-chlorophenyl)-3-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea 1-(3-chlorophenyl)-3-[2-(1-ethyl…

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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	9.06	-17.11	2	5	0	59	342.83	5	↓ MOL2 SDF SMILES Flexibase

65156267

Analogs

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Popular Name: 1-(4-ethoxyphenyl)-3-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea 1-(4-ethoxyphenyl)-3-[2-(1-ethyl…

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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	8.74	-16.48	2	6	0	68	352.438	7	↓ MOL2 SDF SMILES Flexibase

65156268

Analogs

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Popular Name: 1-(2,6-difluorophenyl)-3-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea 1-(2,6-difluorophenyl)-3-[2-(1-e…

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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)	3.17	8.77	-17.87	2	5	0	59	344.365	5	↓ MOL2 SDF SMILES Flexibase

65156269

Analogs

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Popular Name: 1-(4-chlorophenyl)-3-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea 1-(4-chlorophenyl)-3-[2-(1-ethyl…

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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)	3.62	9.04	-15.49	2	5	0	59	342.83	5	↓ MOL2 SDF SMILES Flexibase

65156270

Analogs

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Popular Name: 1-(2,3-dimethylphenyl)-3-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea 1-(2,3-dimethylphenyl)-3-[2-(1-e…

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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	9.93	-16	2	5	0	59	336.439	5	↓ MOL2 SDF SMILES Flexibase

65156275

Analogs

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Popular Name: 1-(3,4-dimethylphenyl)-3-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea 1-(3,4-dimethylphenyl)-3-[2-(1-e…

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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)	3.77	9.74	-16.12	2	5	0	59	336.439	5	↓ MOL2 SDF SMILES Flexibase

65156277

Analogs

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Popular Name: 1-(2,5-dimethylphenyl)-3-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea 1-(2,5-dimethylphenyl)-3-[2-(1-e…

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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)	3.77	10.03	-15.99	2	5	0	59	336.439	5	↓ MOL2 SDF SMILES Flexibase

65156279

Analogs

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Popular Name: 1-(3,5-dimethylphenyl)-3-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea 1-(3,5-dimethylphenyl)-3-[2-(1-e…

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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)	3.77	9.87	-15.89	2	5	0	59	336.439	5	↓ MOL2 SDF SMILES Flexibase

65156281

Analogs

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Popular Name: 1-(2-chloro-4-methyl-phenyl)-3-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea 1-(2-chloro-4-methyl-phenyl)-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)	4.00	9.82	-13.73	2	5	0	59	356.857	5	↓ MOL2 SDF SMILES Flexibase

65156284

Analogs

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Popular Name: 1-(2,5-dimethoxyphenyl)-3-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea 1-(2,5-dimethoxyphenyl)-3-[2-(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)	2.98	7.21	-18.32	2	7	0	77	368.437	7	↓ MOL2 SDF SMILES Flexibase

65156287

Analogs

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Popular Name: 1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-(p-tolyl)urea 1-[2-(1-ethylpyrrolo[2,3-b]pyrid…

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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	9.21	-15.88	2	5	0	59	322.412	5	↓ MOL2 SDF SMILES Flexibase

65156288

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-(o-tolyl)urea 1-[2-(1-ethylpyrrolo[2,3-b]pyrid…

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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)	3.35	9.37	-15.89	2	5	0	59	322.412	5	↓ MOL2 SDF SMILES Flexibase

65156291

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-(3-methoxyphenyl)urea 1-[2-(1-ethylpyrrolo[2,3-b]pyrid…

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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	7.84	-19.08	2	6	0	68	338.411	6	↓ MOL2 SDF SMILES Flexibase

65156295

Analogs

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Popular Name: 1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-(4-methoxyphenyl)urea 1-[2-(1-ethylpyrrolo[2,3-b]pyrid…

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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)	3.00	7.8	-16.59	2	6	0	68	338.411	6	↓ MOL2 SDF SMILES Flexibase

65156301

Analogs

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Popular Name: 1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-(4-fluorophenyl)urea 1-[2-(1-ethylpyrrolo[2,3-b]pyrid…

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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	8.59	-16.03	2	5	0	59	326.375	5	↓ MOL2 SDF SMILES Flexibase

65156304

Analogs

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Popular Name: 1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-(2-methoxyphenyl)urea 1-[2-(1-ethylpyrrolo[2,3-b]pyrid…

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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)	2.95	7.92	-15.6	2	6	0	68	338.411	6	↓ MOL2 SDF SMILES Flexibase

65156306

Analogs

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Popular Name: 1-(3-chloro-2-methyl-phenyl)-3-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea 1-(3-chloro-2-methyl-phenyl)-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)	3.98	9.81	-14.49	2	5	0	59	356.857	5	↓ MOL2 SDF SMILES Flexibase

65156312

Analogs

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Popular Name: 1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-(m-tolyl)urea 1-[2-(1-ethylpyrrolo[2,3-b]pyrid…

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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)	3.37	9.21	-16	2	5	0	59	322.412	5	↓ MOL2 SDF SMILES Flexibase

65156317

Analogs

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Popular Name: 1-(2-chlorophenyl)-3-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea 1-(2-chlorophenyl)-3-[2-(1-ethyl…

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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	9.14	-13.93	2	5	0	59	342.83	5	↓ MOL2 SDF SMILES Flexibase

65156319

Analogs

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Popular Name: 1-(2,4-dimethylphenyl)-3-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea 1-(2,4-dimethylphenyl)-3-[2-(1-e…

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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)	3.77	10.03	-15.91	2	5	0	59	336.439	5	↓ MOL2 SDF SMILES Flexibase

65156326

Analogs

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Popular Name: 1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-(3-fluoro-4-methyl-phenyl)urea 1-[2-(1-ethylpyrrolo[2,3-b]pyrid…

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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	9.23	-18.45	2	5	0	59	340.402	5	↓ MOL2 SDF SMILES Flexibase

65156334

Analogs

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Popular Name: 1-(2,5-difluorophenyl)-3-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea 1-(2,5-difluorophenyl)-3-[2-(1-e…

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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	8.69	-15.16	2	5	0	59	344.365	5	↓ MOL2 SDF SMILES Flexibase

65156337

Analogs

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Popular Name: 1-(2,4-dimethoxyphenyl)-3-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea 1-(2,4-dimethoxyphenyl)-3-[2-(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)	2.98	7.22	-15.96	2	7	0	77	368.437	7	↓ MOL2 SDF SMILES Flexibase

65156339

Analogs

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Popular Name: 1-(3,5-dimethoxyphenyl)-3-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea 1-(3,5-dimethoxyphenyl)-3-[2-(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)	2.98	7.14	-18.73	2	7	0	77	368.437	7	↓ MOL2 SDF SMILES Flexibase

65156342

Analogs

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Popular Name: 1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-(2-fluorophenyl)urea 1-[2-(1-ethylpyrrolo[2,3-b]pyrid…

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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)	3.06	8.64	-14.39	2	5	0	59	326.375	5	↓ MOL2 SDF SMILES Flexibase

65156363

Analogs

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Popular Name: 1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-(3-fluorophenyl)urea 1-[2-(1-ethylpyrrolo[2,3-b]pyrid…

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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)	3.08	8.6	-18.33	2	5	0	59	326.375	5	↓ MOL2 SDF SMILES Flexibase

65156371

Analogs

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Popular Name: 1-(2,6-dimethylphenyl)-3-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea 1-(2,6-dimethylphenyl)-3-[2-(1-e…

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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	9.84	-15.41	2	5	0	59	336.439	5	↓ MOL2 SDF SMILES Flexibase

65156376

Analogs

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Popular Name: 1-(3-acetylphenyl)-3-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea 1-(3-acetylphenyl)-3-[2-(1-ethyl…

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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)	2.82	8.94	-24.8	2	6	0	76	350.422	6	↓ MOL2 SDF SMILES Flexibase

65156379

Analogs

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Popular Name: 1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-(3-fluoro-2-methyl-phenyl)urea 1-[2-(1-ethylpyrrolo[2,3-b]pyrid…

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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	9.41	-14.84	2	5	0	59	340.402	5	↓ MOL2 SDF SMILES Flexibase

65156381

Analogs

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Popular Name: 1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-(3,4,5-trifluorophenyl)urea 1-[2-(1-ethylpyrrolo[2,3-b]pyrid…

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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)	3.29	8.7	-17.35	2	5	0	59	362.355	5	↓ MOL2 SDF SMILES Flexibase

65156383

Analogs

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Popular Name: 1-(3-chloro-2-fluoro-phenyl)-3-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea 1-(3-chloro-2-fluoro-phenyl)-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)	3.69	9.14	-13.78	2	5	0	59	360.82	5	↓ MOL2 SDF SMILES Flexibase

65156386

Analogs

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Popular Name: 1-(4-chloro-2-fluoro-phenyl)-3-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea 1-(4-chloro-2-fluoro-phenyl)-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)	3.71	9.16	-12.97	2	5	0	59	360.82	5	↓ MOL2 SDF SMILES Flexibase

65156392

Analogs

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Popular Name: 1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-phenyl-urea 1-[2-(1-methylpyrrolo[2,3-b]pyri…

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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	7.62	-16.11	2	5	0	59	294.358	4	↓ MOL2 SDF SMILES Flexibase

65156397

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Popular Name: 1-(4-ethoxyphenyl)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea 1-(4-ethoxyphenyl)-3-[2-(1-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)	3.00	7.79	-16.74	2	6	0	68	338.411	6	↓ MOL2 SDF SMILES Flexibase

65156400

Analogs

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Popular Name: 1-(4-ethylphenyl)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea 1-(4-ethylphenyl)-3-[2-(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)	3.48	9.02	-16.04	2	5	0	59	322.412	5	↓ MOL2 SDF SMILES Flexibase

65156402

Analogs

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Popular Name: 1-(2,3-dimethylphenyl)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea 1-(2,3-dimethylphenyl)-3-[2-(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)	3.37	9.01	-16.26	2	5	0	59	322.412	4	↓ MOL2 SDF SMILES Flexibase

65156403

Analogs

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Popular Name: 1-(2,5-dimethylphenyl)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea 1-(2,5-dimethylphenyl)-3-[2-(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)	3.39	9.12	-16.24	2	5	0	59	322.412	4	↓ MOL2 SDF SMILES Flexibase

65156405

Analogs

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Popular Name: 1-(3,4-dimethoxyphenyl)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea 1-(3,4-dimethoxyphenyl)-3-[2-(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)	2.21	6.8	-18.78	2	7	0	77	354.41	6	↓ MOL2 SDF SMILES Flexibase

65156407

Analogs

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Popular Name: 1-(5-chloro-2-methoxy-phenyl)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea 1-(5-chloro-2-methoxy-phenyl)-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)	3.23	7.53	-16.35	2	6	0	68	358.829	5	↓ MOL2 SDF SMILES Flexibase

65156410

Analogs

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Popular Name: 1-(2,5-dimethoxyphenyl)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea 1-(2,5-dimethoxyphenyl)-3-[2-(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)	2.61	6.3	-18.5	2	7	0	77	354.41	6	↓ MOL2 SDF SMILES Flexibase

65156413

Analogs

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Popular Name: 1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-(p-tolyl)urea 1-[2-(1-methylpyrrolo[2,3-b]pyri…

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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)	3.02	8.25	-16.21	2	5	0	59	308.385	4	↓ MOL2 SDF SMILES Flexibase

65156415

Analogs

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Popular Name: 1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-(o-tolyl)urea 1-[2-(1-methylpyrrolo[2,3-b]pyri…

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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	8.52	-16.18	2	5	0	59	308.385	4	↓ MOL2 SDF SMILES Flexibase

65156420

Analogs

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Popular Name: 1-(3-methoxyphenyl)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea 1-(3-methoxyphenyl)-3-[2-(1-meth…

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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	6.92	-19.33	2	6	0	68	324.384	5	↓ MOL2 SDF SMILES Flexibase

65156423

Analogs

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Popular Name: 1-(4-methoxyphenyl)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea 1-(4-methoxyphenyl)-3-[2-(1-meth…

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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)	2.62	6.89	-16.83	2	6	0	68	324.384	5	↓ MOL2 SDF SMILES Flexibase

65156426

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-ethoxyphenyl)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea 1-(2-ethoxyphenyl)-3-[2-(1-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)	2.95	7.97	-15.36	2	6	0	68	338.411	6	↓ MOL2 SDF SMILES Flexibase

65156430

Analogs

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Popular Name: 1-(4-fluorophenyl)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea 1-(4-fluorophenyl)-3-[2-(1-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)	2.73	7.67	-16.25	2	5	0	59	312.348	4	↓ MOL2 SDF SMILES Flexibase

65156432

Analogs

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Popular Name: 1-(2-methoxyphenyl)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea 1-(2-methoxyphenyl)-3-[2-(1-meth…

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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	7	-15.88	2	6	0	68	324.384	5	↓ MOL2 SDF SMILES Flexibase

65156434

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-(m-tolyl)urea 1-[2-(1-methylpyrrolo[2,3-b]pyri…

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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	8.25	-16.31	2	5	0	59	308.385	4	↓ MOL2 SDF SMILES Flexibase

65156436

Analogs

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Popular Name: 1-(2-ethylphenyl)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea 1-(2-ethylphenyl)-3-[2-(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)	3.44	9.28	-15.71	2	5	0	59	322.412	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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

SQL Query Was

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