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ZINC Item

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2089564

Analogs

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Popular Name: 2-amino-1-{4-chloro-3-nitrophenyl}-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile 2-amino-1-{4-chloro-3-nitropheny…

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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)	5.89	3.32	-19.69	2	8	0	125	541.007	6	↓ MOL2 SDF SMILES Flexibase

2089565

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-1-{4-chloro-3-nitrophenyl}-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile 2-amino-1-{4-chloro-3-nitropheny…

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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)	5.89	3.32	-21.48	2	8	0	125	541.007	6	↓ MOL2 SDF SMILES Flexibase

2089566

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-1-{4-chloro-3-nitrophenyl}-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile 2-amino-1-{4-chloro-3-nitropheny…

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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)	5.89	3.32	-22.3	2	8	0	125	541.007	6	↓ MOL2 SDF SMILES Flexibase

2089567

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-1-{4-chloro-3-nitrophenyl}-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile 2-amino-1-{4-chloro-3-nitropheny…

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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)	5.89	3.31	-23	2	8	0	125	541.007	6	↓ MOL2 SDF SMILES Flexibase

2089793

Analogs

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Popular Name: 2-amino-4-(4-bromophenyl)-1-{5-nitro-2-methylphenyl}-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 2-amino-4-(4-bromophenyl)-1-{5-n…

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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)	6.04	3.35	-19.54	2	7	0	115	555.432	4	↓ MOL2 SDF SMILES Flexibase

2089794

Analogs

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Popular Name: 2-amino-4-(4-bromophenyl)-1-{5-nitro-2-methylphenyl}-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 2-amino-4-(4-bromophenyl)-1-{5-n…

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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)	6.04	3.25	-19.1	2	7	0	115	555.432	4	↓ MOL2 SDF SMILES Flexibase

2089795

Analogs

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Popular Name: 2-amino-4-(4-bromophenyl)-1-{5-nitro-2-methylphenyl}-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 2-amino-4-(4-bromophenyl)-1-{5-n…

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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)	6.04	3.4	-18.95	2	7	0	115	555.432	4	↓ MOL2 SDF SMILES Flexibase

2089796

Analogs

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Popular Name: 2-amino-4-(4-bromophenyl)-1-{5-nitro-2-methylphenyl}-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 2-amino-4-(4-bromophenyl)-1-{5-n…

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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)	6.04	3.25	-19.71	2	7	0	115	555.432	4	↓ MOL2 SDF SMILES Flexibase

2089819

Analogs

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Popular Name: (4S,7S)-2-amino-1-(3-chlorophenyl)-4-(4-dimethylaminophenyl)-5-keto-7-phenyl-4,6,7,8-tetrahydroquino (4S,7S)-2-amino-1-(3-chloropheny…

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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)	5.65	2.66	-16.26	2	5	0	73	495.026	4	↓ MOL2 SDF SMILES Flexibase

2089820

Analogs

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Popular Name: (4R,7S)-2-amino-1-(3-chlorophenyl)-4-(4-dimethylaminophenyl)-5-keto-7-phenyl-4,6,7,8-tetrahydroquino (4R,7S)-2-amino-1-(3-chloropheny…

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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)	5.65	16.12	-16.6	2	5	0	73	495.026	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.65	15.93	-57.5	3	5	1	75	496.034	4	↓ MOL2 SDF SMILES Flexibase

2089821

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7R)-2-amino-1-(3-chlorophenyl)-4-(4-dimethylaminophenyl)-5-keto-7-phenyl-4,6,7,8-tetrahydroquino (4S,7R)-2-amino-1-(3-chloropheny…

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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)	5.65	16.15	-17.1	2	5	0	73	495.026	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.65	15.95	-59.53	3	5	1	75	496.034	4	↓ MOL2 SDF SMILES Flexibase

2089822

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,7R)-2-amino-1-(3-chlorophenyl)-4-(4-dimethylaminophenyl)-5-keto-7-phenyl-4,6,7,8-tetrahydroquino (4R,7R)-2-amino-1-(3-chloropheny…

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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)	5.65	16.09	-17.7	2	5	0	73	495.026	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.65	15.89	-59.75	3	5	1	75	496.034	4	↓ MOL2 SDF SMILES Flexibase

2089896

Analogs

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Popular Name: 2-amino-4-(2-chlorophenyl)-1-(3-chlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 2-amino-4-(2-chlorophenyl)-1-(3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.71	2.66	-16.03	2	4	0	70	486.402	3	↓ MOL2 SDF SMILES Flexibase

2089897

Analogs

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Popular Name: 2-amino-4-(2-chlorophenyl)-1-(3-chlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 2-amino-4-(2-chlorophenyl)-1-(3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.71	2.68	-16.55	2	4	0	70	486.402	3	↓ MOL2 SDF SMILES Flexibase

2089898

Analogs

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Popular Name: 2-amino-4-(2-chlorophenyl)-1-(3-chlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 2-amino-4-(2-chlorophenyl)-1-(3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.71	2.67	-16.53	2	4	0	70	486.402	3	↓ MOL2 SDF SMILES Flexibase

2089899

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-(2-chlorophenyl)-1-(3-chlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 2-amino-4-(2-chlorophenyl)-1-(3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.71	2.64	-16.58	2	4	0	70	486.402	3	↓ MOL2 SDF SMILES Flexibase

2089940

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-1,4-bis(2-chlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile 2-amino-1,4-bis(2-chlorophenyl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.68	2.77	-17.9	2	4	0	70	486.402	3	↓ MOL2 SDF SMILES Flexibase

2089941

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-1,4-bis(2-chlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile 2-amino-1,4-bis(2-chlorophenyl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.68	2.88	-16.86	2	4	0	70	486.402	3	↓ MOL2 SDF SMILES Flexibase

2089942

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-1,4-bis(2-chlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile 2-amino-1,4-bis(2-chlorophenyl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.68	2.86	-16.6	2	4	0	70	486.402	3	↓ MOL2 SDF SMILES Flexibase

2089943

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-1,4-bis(2-chlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile 2-amino-1,4-bis(2-chlorophenyl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.68	2.86	-16.25	2	4	0	70	486.402	3	↓ MOL2 SDF SMILES Flexibase

2090578

Analogs

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Popular Name: 2-amino-4-{2-chloro-5-nitrophenyl}-1-(3-chloro-2-methylphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile 2-amino-4-{2-chloro-5-nitropheny…

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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)	6.02	3.73	-12.65	2	7	0	115	545.426	4	↓ MOL2 SDF SMILES Flexibase

2090581

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-{2-chloro-5-nitrophenyl}-1-(3-chloro-2-methylphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile 2-amino-4-{2-chloro-5-nitropheny…

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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)	6.02	3.74	-12.51	2	7	0	115	545.426	4	↓ MOL2 SDF SMILES Flexibase

2090583

Analogs

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Popular Name: 2-amino-4-{2-chloro-5-nitrophenyl}-1-(3-chloro-2-methylphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile 2-amino-4-{2-chloro-5-nitropheny…

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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)	6.02	3.89	-12.45	2	7	0	115	545.426	4	↓ MOL2 SDF SMILES Flexibase

2090586

Analogs

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Popular Name: 2-amino-4-{2-chloro-5-nitrophenyl}-1-(3-chloro-2-methylphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile 2-amino-4-{2-chloro-5-nitropheny…

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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)	6.02	3.73	-12.46	2	7	0	115	545.426	4	↓ MOL2 SDF SMILES Flexibase

2090730

Analogs

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Popular Name: 2-amino-4-(3-chlorophenyl)-1-{5-nitro-2-methylphenyl}-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 2-amino-4-(3-chlorophenyl)-1-{5-…

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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)	5.88	3.86	-21.38	2	7	0	115	510.981	4	↓ MOL2 SDF SMILES Flexibase

2090734

Analogs

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Popular Name: 2-amino-4-(3-chlorophenyl)-1-{5-nitro-2-methylphenyl}-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 2-amino-4-(3-chlorophenyl)-1-{5-…

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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)	5.88	3.86	-18.86	2	7	0	115	510.981	4	↓ MOL2 SDF SMILES Flexibase

2090736

Analogs

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Popular Name: 2-amino-4-(3-chlorophenyl)-1-{5-nitro-2-methylphenyl}-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 2-amino-4-(3-chlorophenyl)-1-{5-…

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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)	5.88	4.02	-20.36	2	7	0	115	510.981	4	↓ MOL2 SDF SMILES Flexibase

2090737

Analogs

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Popular Name: 2-amino-4-(3-chlorophenyl)-1-{5-nitro-2-methylphenyl}-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 2-amino-4-(3-chlorophenyl)-1-{5-…

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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)	5.88	3.86	-19.99	2	7	0	115	510.981	4	↓ MOL2 SDF SMILES Flexibase

2090766

Analogs

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Popular Name: 2-amino-1-{4-chloro-3-nitrophenyl}-4-(2-chlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 2-amino-1-{4-chloro-3-nitropheny…

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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)	5.62	3.15	-21.73	2	7	0	115	531.399	4	↓ MOL2 SDF SMILES Flexibase

2090769

Analogs

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Popular Name: 2-amino-1-{4-chloro-3-nitrophenyl}-4-(2-chlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 2-amino-1-{4-chloro-3-nitropheny…

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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)	5.62	3.17	-22.21	2	7	0	115	531.399	4	↓ MOL2 SDF SMILES Flexibase

2090773

Analogs

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Popular Name: 2-amino-1-{4-chloro-3-nitrophenyl}-4-(2-chlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 2-amino-1-{4-chloro-3-nitropheny…

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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)	5.62	3.16	-21.92	2	7	0	115	531.399	4	↓ MOL2 SDF SMILES Flexibase

2090777

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Popular Name: 2-amino-1-{4-chloro-3-nitrophenyl}-4-(2-chlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 2-amino-1-{4-chloro-3-nitropheny…

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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)	5.62	3.15	-22.71	2	7	0	115	531.399	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 231659
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 = 231659 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=231659&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "231659"        

    });
</script>

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