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ZINC Item

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1377362

Analogs

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Popular Name: N-(5-chloro-2-methoxy-phenyl)-2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]acetam N-(5-chloro-2-methoxy-phenyl)-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)	4.54	-2	-12.14	1	5	0	64	433.986	6	↓ MOL2 SDF SMILES Flexibase

1377363

Analogs

4218033

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Popular Name: 2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]-N-(2-ethylphenyl)acetamide 2-[(2-cyclopropyl-5,6-dimethyl-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)	4.74	-1.24	-11.27	1	4	0	54	397.569	6	↓ MOL2 SDF SMILES Flexibase

1377366

Analogs

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Popular Name: 2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]-N-phenyl-acetamide 2-[(2-cyclopropyl-5,6-dimethyl-t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.87	-2.01	-11.97	1	4	0	54	369.515	5	↓ MOL2 SDF SMILES Flexibase

1377368

Analogs

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Popular Name: N-(3-chlorophenyl)-2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]acetamide N-(3-chlorophenyl)-2-[(2-cyclopr…

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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	-2.16	-13.13	1	4	0	54	403.96	5	↓ MOL2 SDF SMILES Flexibase

1377370

Analogs

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Popular Name: N-(4-acetylphenyl)-2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]acetamide N-(4-acetylphenyl)-2-[(2-cyclopr…

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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	-1.63	-18.31	1	5	0	71	411.552	6	↓ MOL2 SDF SMILES Flexibase

1377371

Analogs

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Popular Name: N-(4-bromophenyl)-2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]acetamide N-(4-bromophenyl)-2-[(2-cyclopro…

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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)	4.68	-2.77	-11.67	1	4	0	54	448.411	5	↓ MOL2 SDF SMILES Flexibase

1377373

Analogs

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Popular Name: 2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]-N-(3,5-dimethylphenyl)acetamide 2-[(2-cyclopropyl-5,6-dimethyl-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)	4.70	-1.35	-11.94	1	4	0	54	397.569	5	↓ MOL2 SDF SMILES Flexibase

1377374

Analogs

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Popular Name: 2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]-N-(2,6-dimethylphenyl)acetamide 2-[(2-cyclopropyl-5,6-dimethyl-t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.74	-1.17	-11.43	1	4	0	54	397.569	5	↓ MOL2 SDF SMILES Flexibase

1377375

Analogs

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Popular Name: 2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]-N-(2,3-dimethylphenyl)acetamide 2-[(2-cyclopropyl-5,6-dimethyl-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)	4.67	-1.17	-11.96	1	4	0	54	397.569	5	↓ MOL2 SDF SMILES Flexibase

1377376

Analogs

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Popular Name: N-(2-bromophenyl)-2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]acetamide N-(2-bromophenyl)-2-[(2-cyclopro…

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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)	4.63	10.64	-10.12	1	4	0	55	448.411	5	↓ MOL2 SDF SMILES Flexibase

1377377

Analogs

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Popular Name: 2-[[2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]benzoic-acid-methyl 2-[[2-[(2-cyclopropyl-5,6-dimeth…

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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)	4.18	10.9	-12.35	1	6	0	81	427.551	7	↓ MOL2 SDF SMILES Flexibase

1377378

Analogs

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Popular Name: 2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]-N-(2,4-dimethylphenyl)acetamide 2-[(2-cyclopropyl-5,6-dimethyl-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)	4.70	-1.12	-11.86	1	4	0	54	397.569	5	↓ MOL2 SDF SMILES Flexibase

1377379

Analogs

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Popular Name: N-(2-chlorophenyl)-2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]acetamide N-(2-chlorophenyl)-2-[(2-cyclopr…

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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)	4.50	-1.98	-10.23	1	4	0	54	403.96	5	↓ MOL2 SDF SMILES Flexibase

1377380

Analogs

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Popular Name: 2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]-N-p-phenetyl-acetamide 2-[(2-cyclopropyl-5,6-dimethyl-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)	4.31	-1.98	-13.22	1	5	0	64	413.568	7	↓ MOL2 SDF SMILES Flexibase

1377382

Analogs

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Popular Name: 2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]-N-(p-tolyl)acetamide 2-[(2-cyclopropyl-5,6-dimethyl-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)	4.32	-1.69	-11.99	1	4	0	54	383.542	5	↓ MOL2 SDF SMILES Flexibase

1377383

Analogs

4799460

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Popular Name: N-(3-chloro-2-methyl-phenyl)-2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]acetami N-(3-chloro-2-methyl-phenyl)-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)	4.90	-1.6	-10.82	1	4	0	54	417.987	5	↓ MOL2 SDF SMILES Flexibase

1377384

Analogs

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Popular Name: N-(3-acetylphenyl)-2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]acetamide N-(3-acetylphenyl)-2-[(2-cyclopr…

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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	-1.62	-20.07	1	5	0	71	411.552	6	↓ MOL2 SDF SMILES Flexibase

1377387

Analogs

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Popular Name: 2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]-N-mesityl-acetamide 2-[(2-cyclopropyl-5,6-dimethyl-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)	4.14	-0.81	-11.52	1	4	0	54	411.596	5	↓ MOL2 SDF SMILES Flexibase

1377389

Analogs

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Popular Name: 4-[[2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]benzoic-acid-ethyl- 4-[[2-[(2-cyclopropyl-5,6-dimeth…

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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)	4.42	11.45	-15.64	1	6	0	81	441.578	8	↓ MOL2 SDF SMILES Flexibase

1377395

Analogs

1340345

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Popular Name: 2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]-N-(2,4-dimethoxyphenyl)acetamide 2-[(2-cyclopropyl-5,6-dimethyl-t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.92	8.58	-12.13	1	6	0	73	429.567	7	↓ MOL2 SDF SMILES Flexibase

1377396

Analogs

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Popular Name: 2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]-N-(2,3-dichlorophenyl)acetamide 2-[(2-cyclopropyl-5,6-dimethyl-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)	5.13	10.95	-9.8	1	4	0	55	438.405	5	↓ MOL2 SDF SMILES Flexibase

1377397

Analogs

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Popular Name: 2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]-N-(2,5-diethoxyphenyl)acetamide 2-[(2-cyclopropyl-5,6-dimethyl-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)	4.67	10.45	-13.64	1	6	0	73	457.621	9	↓ MOL2 SDF SMILES Flexibase

1377398

Analogs

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Popular Name: 2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]-N-(o-tolyl)acetamide 2-[(2-cyclopropyl-5,6-dimethyl-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)	4.27	-1.46	-11.82	1	4	0	54	383.542	5	↓ MOL2 SDF SMILES Flexibase

1377399

Analogs

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Popular Name: 2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]-N-(4-fluorophenyl)acetamide 2-[(2-cyclopropyl-5,6-dimethyl-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)	4.04	-1.27	-12.22	1	4	0	54	387.505	5	↓ MOL2 SDF SMILES Flexibase

1377400

Analogs

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Popular Name: 2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]-N-(3-methoxyphenyl)acetamide 2-[(2-cyclopropyl-5,6-dimethyl-t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.91	-1.99	-12.39	1	5	0	64	399.541	6	↓ MOL2 SDF SMILES Flexibase

1377403

Analogs

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Popular Name: 3-[[2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]benzoic-acid-methyl 3-[[2-[(2-cyclopropyl-5,6-dimeth…

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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)	4.02	10.53	-18.8	1	6	0	81	427.551	7	↓ MOL2 SDF SMILES Flexibase

1377408

Analogs

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Popular Name: N-(4-acetamidophenyl)-2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]acetamide N-(4-acetamidophenyl)-2-[(2-cycl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.09	8.77	-16.95	2	6	0	84	426.567	6	↓ MOL2 SDF SMILES Flexibase

1377413

Analogs

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Popular Name: 2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]-N-(2-fluorophenyl)acetamide 2-[(2-cyclopropyl-5,6-dimethyl-t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.99	-1.22	-10.73	1	4	0	54	387.505	5	↓ MOL2 SDF SMILES Flexibase

1377415

Analogs

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Popular Name: 2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]-N-(3-fluorophenyl)acetamide 2-[(2-cyclopropyl-5,6-dimethyl-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)	4.01	-1.27	-14.09	1	4	0	54	387.505	5	↓ MOL2 SDF SMILES Flexibase

1377416

Analogs

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Popular Name: 2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]-N-(3,4-dimethylphenyl)acetamide 2-[(2-cyclopropyl-5,6-dimethyl-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)	4.70	-1.4	-12.1	1	4	0	54	397.569	5	↓ MOL2 SDF SMILES Flexibase

1377419

Analogs

1340386

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Popular Name: 2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]-N-o-phenetyl-acetamide 2-[(2-cyclopropyl-5,6-dimethyl-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	-1.83	-11.34	1	5	0	64	413.568	7	↓ MOL2 SDF SMILES Flexibase

1377421

Analogs

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Popular Name: 2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]-N-(4-ethylphenyl)acetamide 2-[(2-cyclopropyl-5,6-dimethyl-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)	4.79	-1.53	-11.74	1	4	0	54	397.569	6	↓ MOL2 SDF SMILES Flexibase

1377432

Analogs

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Popular Name: 2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]-N-(3,5-dimethoxyphenyl)acetamide 2-[(2-cyclopropyl-5,6-dimethyl-t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.92	8.48	-14.7	1	6	0	73	429.567	7	↓ MOL2 SDF SMILES Flexibase

1377433

Analogs

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Popular Name: 2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]-N-(2-methoxy-5-methyl-phenyl)acetam 2-[(2-cyclopropyl-5,6-dimethyl-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)	4.31	-1.53	-11.74	1	5	0	64	413.568	6	↓ MOL2 SDF SMILES Flexibase

1377436

Analogs

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Popular Name: 4-[[2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]benzoic-acid-methyl 4-[[2-[(2-cyclopropyl-5,6-dimeth…

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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)	4.04	10.52	-15.89	1	6	0	81	427.551	7	↓ MOL2 SDF SMILES Flexibase

1377441

Analogs

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Popular Name: N-[4-[[2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]phenyl]propionam N-[4-[[2-[(2-cyclopropyl-5,6-dim…

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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)	3.93	9.59	-16.65	2	6	0	84	440.594	7	↓ MOL2 SDF SMILES Flexibase

1377442

Analogs

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Popular Name: N-[3-[[2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]phenyl]propionam N-[3-[[2-[(2-cyclopropyl-5,6-dim…

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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	9.59	-17.74	2	6	0	84	440.594	7	↓ MOL2 SDF SMILES Flexibase

1377445

Analogs

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Popular Name: N-[4-[[2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-2-methyl-phenyl N-[4-[[2-[(2-cyclopropyl-5,6-dim…

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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	10.37	-16.25	2	6	0	84	454.621	7	↓ MOL2 SDF SMILES Flexibase

1377447

Analogs

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Popular Name: N-[5-[[2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-2-methyl-phenyl N-[5-[[2-[(2-cyclopropyl-5,6-dim…

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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	10.37	-16.94	2	6	0	84	454.621	7	↓ MOL2 SDF SMILES Flexibase

1377449

Analogs

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Popular Name: 2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]-N-(4-dimethylaminophenyl)acetamide 2-[(2-cyclopropyl-5,6-dimethyl-t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.98	-2.15	-13.03	1	5	0	58	412.584	6	↓ MOL2 SDF SMILES Flexibase

4888842

Analogs

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Popular Name: 2-[(3-cyclopropyl-7-ethyl-8-methyl-9-thia-2,4-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-5-yl)sulfanyl] 2-[(3-cyclopropyl-7-ethyl-8-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)	5.85	-0.96	-11.35	1	4	0	54	425.623	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 224856
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 = 224856 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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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">
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