ZINC 12

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ZINC Item

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12404917

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 6-methylthieno[2,3-b]quinoline-2-carboxylate methyl 6-methylthieno[2,3-b]quin…

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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)	3.72	0.64	-9.38	0	3	0	39	257.314	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.72	0.7	-29.48	1	3	1	40	258.322	2	↓ MOL2 SDF SMILES Flexibase

65321308

Analogs

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Popular Name: 8-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-7-methoxy-thieno[2,3-b]quinoline-2-carboxamide 8-chloro-N-[4-[(4-ethylpiperazin…

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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	10.2	-45.86	2	6	1	59	496.056	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.07	7.92	-15.88	1	6	0	58	495.048	6	↓ MOL2 SDF SMILES Flexibase

65330794

Analogs

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Popular Name: 6-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]thieno[2,3-b]quinoline-2-carboxamide 6-methyl-N-[[(2S)-tetrahydrofura…

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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	6.27	-10.74	1	4	0	51	326.421	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.46	6.68	-29.55	2	4	1	52	327.429	3	↓ MOL2 SDF SMILES Flexibase

65330795

Analogs

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Popular Name: 6-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]thieno[2,3-b]quinoline-2-carboxamide 6-methyl-N-[[(2R)-tetrahydrofura…

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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	6.3	-10.7	1	4	0	51	326.421	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.46	6.71	-29.47	2	4	1	52	327.429	3	↓ MOL2 SDF SMILES Flexibase

65330796

Analogs

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Popular Name: 8-chloro-7-methoxy-N-(2-pyridyl)thieno[2,3-b]quinoline-2-carboxamide 8-chloro-7-methoxy-N-(2-pyridyl)…

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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)	4.10	7.89	-19.29	1	5	0	64	369.833	3	↓ MOL2 SDF SMILES Flexibase

65330797

Analogs

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Popular Name: (8-chloro-7-methoxy-thieno[2,3-b]quinolin-2-yl)-[(2R)-2-(3-pyridyl)-1-piperidyl]methanone (8-chloro-7-methoxy-thieno[2,3-b…

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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)	4.80	9.57	-17.63	0	5	0	55	437.952	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.80	10.13	-41.53	1	5	1	57	438.96	3	↓ MOL2 SDF SMILES Flexibase

65330798

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8-chloro-7-methoxy-thieno[2,3-b]quinolin-2-yl)-[(2S)-2-(3-pyridyl)-1-piperidyl]methanone (8-chloro-7-methoxy-thieno[2,3-b…

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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)	4.80	9.58	-18.03	0	5	0	55	437.952	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.80	10.18	-42.01	1	5	1	57	438.96	3	↓ MOL2 SDF SMILES Flexibase

65330799

Analogs

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Popular Name: (8-chloro-7-methoxy-thieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (8-chloro-7-methoxy-thieno[2,3-b…

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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)	5.75	10.43	-16.5	0	4	0	42	408.91	2	↓ MOL2 SDF SMILES Flexibase

65330800

Analogs

21087599

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Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.30	9.22	-18.91	1	6	0	78	426.881	5	↓ MOL2 SDF SMILES Flexibase

65330801

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-chloro-7-methoxy-N-[[(2S)-tetrahydrofuran-2-yl]methyl]thieno[2,3-b]quinoline-2-carboxamide 8-chloro-7-methoxy-N-[[(2S)-tetr…

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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)	3.67	5.59	-16.06	1	5	0	60	376.865	4	↓ MOL2 SDF SMILES Flexibase

65330802

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-chloro-7-methoxy-N-[[(2R)-tetrahydrofuran-2-yl]methyl]thieno[2,3-b]quinoline-2-carboxamide 8-chloro-7-methoxy-N-[[(2R)-tetr…

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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)	3.67	5.62	-16.03	1	5	0	60	376.865	4	↓ MOL2 SDF SMILES Flexibase

65330803

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-chloro-7-methoxy-N-(2-methoxyethyl)thieno[2,3-b]quinoline-2-carboxamide 8-chloro-7-methoxy-N-(2-methoxye…

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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)	3.28	4.37	-15.84	1	5	0	60	350.827	5	↓ MOL2 SDF SMILES Flexibase

65330804

Analogs

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Popular Name: 8-chloro-7-methoxy-N-(2-morpholinoethyl)thieno[2,3-b]quinoline-2-carboxamide 8-chloro-7-methoxy-N-(2-morpholi…

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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	3.76	-16.19	1	6	0	64	405.907	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.17	6.03	-50.69	2	6	1	65	406.915	5	↓ MOL2 SDF SMILES Flexibase

65330805

Analogs

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Popular Name: 8-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-thieno[2,3-b]quinoline-2-carboxamide 8-chloro-N-[2-(3,4-dimethoxyphen…

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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	8.28	-20.35	1	6	0	70	456.951	7	↓ MOL2 SDF SMILES Flexibase

65330806

Analogs

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Popular Name: 8-chloro-7-methoxy-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-b]quinoline-2-carboxamide 8-chloro-7-methoxy-N-(2-pyrrolid…

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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)	3.73	7.75	-47.38	2	5	1	56	390.916	5	↓ MOL2 SDF SMILES Flexibase

65330807

Analogs

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Popular Name: (8-chloro-7-methoxy-thieno[2,3-b]quinolin-2-yl)-indolin-1-yl-methanone (8-chloro-7-methoxy-thieno[2,3-b…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.23	10.11	-17.29	0	4	0	42	394.883	2	↓ MOL2 SDF SMILES Flexibase

65330808

Analogs

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Popular Name: (8-chloro-7-methoxy-thieno[2,3-b]quinolin-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (8-chloro-7-methoxy-thieno[2,3-b…

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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)	5.17	9.45	-17.38	0	6	0	55	467.978	4	↓ MOL2 SDF SMILES Flexibase

65330809

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8-chloro-7-methoxy-thieno[2,3-b]quinolin-2-yl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone (8-chloro-7-methoxy-thieno[2,3-b…

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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)	5.96	12.36	-15.3	0	5	0	46	466.006	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.96	12.24	-45.47	1	5	1	47	467.014	3	↓ MOL2 SDF SMILES Flexibase

65330810

Analogs

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Popular Name: (8-chloro-7-methoxy-thieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (8-chloro-7-methoxy-thieno[2,3-b…

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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)	4.93	10.17	-15.59	0	4	0	42	408.91	2	↓ MOL2 SDF SMILES Flexibase

65330811

Analogs

8609661

Draw Identity 99% 90% 80% 70%

Popular Name: 8-chloro-7-methoxy-N-[2-(p-tolyl)ethyl]thieno[2,3-b]quinoline-2-carboxamide 8-chloro-7-methoxy-N-[2-(p-tolyl…

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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	9.75	-16.13	1	4	0	51	410.926	5	↓ MOL2 SDF SMILES Flexibase

65330812

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8-chloro-7-methoxy-thieno[2,3-b]quinolin-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (8-chloro-7-methoxy-thieno[2,3-b…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.53	11.61	-15.57	0	4	0	42	434.948	3	↓ MOL2 SDF SMILES Flexibase

65330813

Analogs

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Popular Name: (8-chloro-7-methoxy-thieno[2,3-b]quinolin-2-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone (8-chloro-7-methoxy-thieno[2,3-b…

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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)	5.74	10.83	-15.89	0	4	0	42	422.937	3	↓ MOL2 SDF SMILES Flexibase

65330814

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8-chloro-7-methoxy-thieno[2,3-b]quinolin-2-yl)-[(3S)-3-phenylpyrrolidin-1-yl]methanone (8-chloro-7-methoxy-thieno[2,3-b…

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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)	5.74	10.85	-15.92	0	4	0	42	422.937	3	↓ MOL2 SDF SMILES Flexibase

65330815

Analogs

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Popular Name: 8-chloro-7-methoxy-N-[3-[(3R)-3-methyl-1-piperidyl]propyl]thieno[2,3-b]quinoline-2-carboxamide 8-chloro-7-methoxy-N-[3-[(3R)-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)	4.75	9.83	-48.45	2	5	1	56	432.997	6	↓ MOL2 SDF SMILES Flexibase

65330816

Analogs

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Popular Name: 8-chloro-7-methoxy-N-[3-[(3S)-3-methyl-1-piperidyl]propyl]thieno[2,3-b]quinoline-2-carboxamide 8-chloro-7-methoxy-N-[3-[(3S)-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)	4.75	9.83	-48.44	2	5	1	56	432.997	6	↓ MOL2 SDF SMILES Flexibase

65330817

Analogs

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Popular Name: 8-chloro-7-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-b]quinoline-2-carboxamide 8-chloro-7-methoxy-N-[2-(4-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)	3.22	6.01	-46.77	2	6	1	59	419.958	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.22	3.63	-15.49	1	6	0	58	418.95	5	↓ MOL2 SDF SMILES Flexibase

65330818

Analogs

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Popular Name: 8-chloro-N-[2-[cyclohexyl(methyl)amino]ethyl]-7-methoxy-thieno[2,3-b]quinoline-2-carboxamide 8-chloro-N-[2-[cyclohexyl(methyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.23	9.63	-48.48	2	5	1	56	432.997	6	↓ MOL2 SDF SMILES Flexibase

65330819

Analogs

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Popular Name: 8-chloro-7-methoxy-N-[4-[(4-methyl-1-piperidyl)methyl]phenyl]thieno[2,3-b]quinoline-2-carboxamide 8-chloro-7-methoxy-N-[4-[(4-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)	5.95	12.56	-48.93	2	5	1	56	481.041	5	↓ MOL2 SDF SMILES Flexibase

65330820

Analogs

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Popular Name: N-[3-(4-benzyl-1-piperidyl)propyl]-8-chloro-7-methoxy-thieno[2,3-b]quinoline-2-carboxamide N-[3-(4-benzyl-1-piperidyl)propy…

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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	13.46	-52.19	2	5	1	56	509.095	8	↓ MOL2 SDF SMILES Flexibase

65330821

Analogs

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Popular Name: 8-chloro-7-methoxy-N-[3-[4-(1-piperidyl)-1-piperidyl]propyl]thieno[2,3-b]quinoline-2-carboxamide 8-chloro-7-methoxy-N-[3-[4-(1-pi…

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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)	4.93	9.92	-51.37	2	6	1	59	502.104	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.93	12.12	-116.45	3	6	2	60	503.112	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.93	9.87	-44.56	2	6	1	59	502.104	7	↓ MOL2 SDF SMILES Flexibase

65330822

Analogs

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Popular Name: 8-chloro-7-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]thieno[2,3-b]quinoline-2-carboxamide 8-chloro-7-methoxy-N-[3-(4-pheny…

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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)	5.19	11.28	-55.53	2	6	1	59	496.056	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.19	9.06	-17.06	1	6	0	58	495.048	7	↓ MOL2 SDF SMILES Flexibase

65330823

Analogs

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Popular Name: 8-chloro-7-methoxy-N-[2-(4-methyl-1-piperidyl)ethyl]thieno[2,3-b]quinoline-2-carboxamide 8-chloro-7-methoxy-N-[2-(4-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)	4.48	9.07	-48.66	2	5	1	56	418.97	5	↓ MOL2 SDF SMILES Flexibase

65330824

Analogs

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Popular Name: 8-chloro-7-methoxy-N-[[1-(p-tolylmethyl)-4-piperidyl]methyl]thieno[2,3-b]quinoline-2-carboxamide 8-chloro-7-methoxy-N-[[1-(p-toly…

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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	12.77	-50.82	2	5	1	56	495.068	6	↓ MOL2 SDF SMILES Flexibase

65330825

Analogs

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Popular Name: 8-chloro-N-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methyl]-7-methoxy-thieno[2,3-b]quinoline-2-carbo 8-chloro-N-[[1-[(4-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)	6.18	12.62	-55.5	2	5	1	56	515.486	6	↓ MOL2 SDF SMILES Flexibase

65330826

Analogs

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Popular Name: 8-chloro-7-methoxy-N-[[1-(o-tolylmethyl)-4-piperidyl]methyl]thieno[2,3-b]quinoline-2-carboxamide 8-chloro-7-methoxy-N-[[1-(o-toly…

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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)	5.90	12.79	-50.33	2	5	1	56	495.068	6	↓ MOL2 SDF SMILES Flexibase

65330827

Analogs

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Popular Name: 8-chloro-7-methoxy-N-[[(3R)-1-(p-tolylmethyl)pyrrolidin-3-yl]methyl]thieno[2,3-b]quinoline-2-carboxa 8-chloro-7-methoxy-N-[[(3R)-1-(p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.68	11.99	-51	2	5	1	56	481.041	6	↓ MOL2 SDF SMILES Flexibase

65330828

Analogs

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Popular Name: 8-chloro-7-methoxy-N-[[(3S)-1-(p-tolylmethyl)pyrrolidin-3-yl]methyl]thieno[2,3-b]quinoline-2-carboxa 8-chloro-7-methoxy-N-[[(3S)-1-(p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.68	11.9	-51.06	2	5	1	56	481.041	6	↓ MOL2 SDF SMILES Flexibase

65330829

Analogs

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Popular Name: 8-chloro-N-[[1-[(4-fluorophenyl)methyl]-4-piperidyl]methyl]-7-methoxy-thieno[2,3-b]quinoline-2-carbo 8-chloro-N-[[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)	5.66	12.17	-56.58	2	5	1	56	499.031	6	↓ MOL2 SDF SMILES Flexibase

65330830

Analogs

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Popular Name: 8-chloro-N-[[1-[(2,5-dimethylphenyl)methyl]-4-piperidyl]methyl]-7-methoxy-thieno[2,3-b]quinoline-2-c 8-chloro-N-[[1-[(2,5-dimethylphe…

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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)	6.33	13.38	-50.77	2	5	1	56	509.095	6	↓ MOL2 SDF SMILES Flexibase

65330831

Analogs

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Popular Name: 8-chloro-N-[[1-[(3-chlorophenyl)methyl]-4-piperidyl]methyl]-7-methoxy-thieno[2,3-b]quinoline-2-carbo 8-chloro-N-[[1-[(3-chlorophenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.15	12.61	-54.25	2	5	1	56	515.486	6	↓ MOL2 SDF SMILES Flexibase

65330832

Analogs

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Popular Name: 8-chloro-7-methoxy-N-[4-(1-piperidylmethyl)phenyl]thieno[2,3-b]quinoline-2-carboxamide 8-chloro-7-methoxy-N-[4-(1-piper…

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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)	5.71	11.96	-47.79	2	5	1	56	467.014	5	↓ MOL2 SDF SMILES Flexibase

65330833

Analogs

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Popular Name: 8-chloro-N-[[1-[(3-fluorophenyl)methyl]-4-piperidyl]methyl]-7-methoxy-thieno[2,3-b]quinoline-2-carbo 8-chloro-N-[[1-[(3-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)	5.64	12.17	-55.21	2	5	1	56	499.031	6	↓ MOL2 SDF SMILES Flexibase

65330834

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-chloro-7-methoxy-N-[(2-methoxyphenyl)methyl]-N-(1-methyl-4-piperidyl)thieno[2,3-b]quinoline-2-carb 8-chloro-7-methoxy-N-[(2-methoxy…

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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)	5.37	13.39	-46.13	1	6	1	56	511.067	6	↓ MOL2 SDF SMILES Flexibase

65330835

Analogs

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Popular Name: N-[2-[benzyl(ethyl)amino]ethyl]-8-chloro-7-methoxy-thieno[2,3-b]quinoline-2-carboxamide N-[2-[benzyl(ethyl)amino]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)	5.10	10.87	-50.08	2	5	1	56	455.003	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.10	8.74	-15.71	1	5	0	54	453.995	8	↓ MOL2 SDF SMILES Flexibase

65330836

Analogs

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Popular Name: 8-chloro-N-[[1-[(2-chlorophenyl)methyl]-4-piperidyl]methyl]-7-methoxy-thieno[2,3-b]quinoline-2-carbo 8-chloro-N-[[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)	6.13	12.59	-48.25	2	5	1	56	515.486	6	↓ MOL2 SDF SMILES Flexibase

65330837

Analogs

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Popular Name: 8-chloro-N-[[1-[2-(4-fluorophenyl)ethyl]-4-piperidyl]methyl]-7-methoxy-thieno[2,3-b]quinoline-2-carb 8-chloro-N-[[1-[2-(4-fluoropheny…

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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)	6.07	13.03	-57.77	2	5	1	56	513.058	7	↓ MOL2 SDF SMILES Flexibase

65330838

Analogs

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Popular Name: 8-chloro-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-7-methoxy-thieno[2,3-b]quinoline-2-carboxamide 8-chloro-N-[3-(4-cyclohexylpiper…

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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)	5.40	9.83	-45.69	2	6	1	59	502.104	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.40	7.62	-15.09	1	6	0	58	501.096	7	↓ 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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