Thursday, December 29, 2011

All Chemical Compounds Information




Product OPENEYE NAME: (2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
CAS Name: (2S,3R,4S,5S,6R)-2-[[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-3-oxanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC NAME: (2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-2-[(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol
MOLECULAR FORMULA: C18H32O16
MOLECULAR WEIGHT: 504.43708
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O)O)O
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MOLECULAR FORMULA: C35H37ClF3N5O6S2
MOLECULAR WEIGHT: 780.27639
SMILES: C1CC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](CC1)NC4=CC=CC(=C4)C(F)(F)F)OC5=NC6=C(S5)C=C(C=C6)Cl)C(=O)NS(=O)(=O)C7CC7
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MOLECULAR FORMULA: C36H40F3N5O6S2
MOLECULAR WEIGHT: 759.85791
SMILES: CC1=CC2=C(C=C1)N=C(S2)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC6=CC=CC(=C6)C(F)(F)F)C(=O)NS(=O)(=O)C7CC7
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MOLECULAR FORMULA: C35H38F3N5O7S
MOLECULAR WEIGHT: 729.76573
SMILES: C1CC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](CC1)NC4=CC=CC(=C4)C(F)(F)F)OC5=NC6=CC=CC=C6O5)C(=O)NS(=O)(=O)C7CC7
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Product OPENEYE NAME: 1-(4-fluorophenyl)-N-[(4-sulfamoylphenyl)methyl]indazole-4-carboxamide
CAS Name: 1-(4-fluorophenyl)-N-[(4-sulfamoylphenyl)methyl]-4-indazolecarboxamide
IUPAC NAME: 1-(4-fluorophenyl)-N-[(4-sulfamoylphenyl)methyl]indazole-4-carboxamide
SYSTEMATIC NAME: 1-(4-fluorophenyl)-N-[(4-sulfamoylphenyl)methyl]indazole-4-carboxamide
MOLECULAR FORMULA: C21H17FN4O3S
MOLECULAR WEIGHT: 424.448083
SMILES: C1=CC(=C2C=NN(C2=C1)C3=CC=C(C=C3)F)C(=O)NCC4=CC=C(C=C4)S(=O)(=O)N
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Product OPENEYE NAME: N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CAS Name: N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)-4-indazolecarboxamide
IUPAC NAME: N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
SYSTEMATIC NAME: N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
MOLECULAR FORMULA: C21H15BrFN3O
MOLECULAR WEIGHT: 424.265703
SMILES: C1=CC(=C2C=NN(C2=C1)C3=CC=C(C=C3)F)C(=O)NCC4=CC=C(C=C4)Br
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Product OPENEYE NAME: N-[(3-acetamidophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CAS Name: N-[(3-acetamidophenyl)methyl]-1-(4-fluorophenyl)-4-indazolecarboxamide
IUPAC NAME: N-[(3-acetamidophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
SYSTEMATIC NAME: N-[(3-acetamidophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
MOLECULAR FORMULA: C23H19FN4O2
MOLECULAR WEIGHT: 402.420963
SMILES: CC(=O)NC1=CC=CC(=C1)CNC(=O)C2=C3C=NN(C3=CC=C2)C4=CC=C(C=C4)F
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Product OPENEYE NAME: 1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]indazole-4-carboxamide
CAS Name: 1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-4-indazolecarboxamide
IUPAC NAME: 1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]indazole-4-carboxamide
SYSTEMATIC NAME: 1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]indazole-4-carboxamide
MOLECULAR FORMULA: C22H18FN3O3S
MOLECULAR WEIGHT: 423.460023
SMILES: CS(=O)(=O)C1=CC=CC(=C1)CNC(=O)C2=C3C=NN(C3=CC=C2)C4=CC=C(C=C4)F
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Product OPENEYE NAME: N-[(2-cyanophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CAS Name: N-[(2-cyanophenyl)methyl]-1-(4-fluorophenyl)-4-indazolecarboxamide
IUPAC NAME: N-[(2-cyanophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
SYSTEMATIC NAME: N-[(2-cyanophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
MOLECULAR FORMULA: C22H15FN4O
MOLECULAR WEIGHT: 370.379103
SMILES: C1=CC=C(C(=C1)CNC(=O)C2=C3C=NN(C3=CC=C2)C4=CC=C(C=C4)F)C#N
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Product OPENEYE NAME: N-[(4-fluoro-2-methylsulfonyl-phenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CAS Name: N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-1-(4-fluorophenyl)-4-indazolecarboxamide
IUPAC NAME: N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
SYSTEMATIC NAME: N-[(4-fluoranyl-2-methylsulfonyl-phenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
MOLECULAR FORMULA: C22H17F2N3O3S
MOLECULAR WEIGHT: 441.450486
SMILES: CS(=O)(=O)C1=C(C=CC(=C1)F)CNC(=O)C2=C3C=NN(C3=CC=C2)C4=CC=C(C=C4)F
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Product OPENEYE NAME: (3R)-5'-[3-[(8R)-8-(3,5-difluorophenyl)-8,10-dimethyl-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]propyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-indane]-2-one
CAS Name: (2R)-5-[3-[(8R)-8-(3,5-difluorophenyl)-8,10-dimethyl-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]propyl]-2'-spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]one
IUPAC NAME: (2R)-5-[3-[(8R)-8-(3,5-difluorophenyl)-8,10-dimethyl-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]propyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
SYSTEMATIC NAME: (2R)-5-[3-[(8R)-8-[3,5-bis(fluoranyl)phenyl]-8,10-dimethyl-6-oxidanylidene-7,10-diazaspiro[4.5]decan-7-yl]propyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
MOLECULAR FORMULA: C34H36F2N4O2
MOLECULAR WEIGHT: 570.672046
SMILES: C[C@]1(CN(C2(CCCC2)C(=O)N1CCCC3=CC4=C(C[C@@]5(C4)C6=C(NC5=O)N=CC=C6)C=C3)C)C7=CC(=CC(=C7)F)F
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Product OPENEYE NAME: (3R)-5'-[3-[(2R)-2-(3,5-difluorophenyl)-2,4,5,5-tetramethyl-6-oxo-piperazin-1-yl]propyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-indane]-2-one
CAS Name: (2R)-5-[3-[(2R)-2-(3,5-difluorophenyl)-2,4,5,5-tetramethyl-6-oxo-1-piperazinyl]propyl]-2'-spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]one
IUPAC NAME: (2R)-5-[3-[(2R)-2-(3,5-difluorophenyl)-2,4,5,5-tetramethyl-6-oxopiperazin-1-yl]propyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
SYSTEMATIC NAME: (2R)-5-[3-[(2R)-2-[3,5-bis(fluoranyl)phenyl]-2,4,5,5-tetramethyl-6-oxidanylidene-piperazin-1-yl]propyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
MOLECULAR FORMULA: C32H34F2N4O2
MOLECULAR WEIGHT: 544.634766
SMILES: C[C@]1(CN(C(C(=O)N1CCCC2=CC3=C(C[C@@]4(C3)C5=C(NC4=O)N=CC=C5)C=C2)(C)C)C)C6=CC(=CC(=C6)F)F
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Product OPENEYE NAME: 5'-[(E)-3-[(8S)-8-(3,5-difluorophenyl)-10-oxo-9-azaspiro[4.5]decan-9-yl]prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-indane]-2-one
CAS Name: 5-[(E)-3-[(8S)-8-(3,5-difluorophenyl)-10-oxo-9-azaspiro[4.5]decan-9-yl]prop-1-enyl]-2'-spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]one
IUPAC NAME: 5-[(E)-3-[(8S)-8-(3,5-difluorophenyl)-10-oxo-9-azaspiro[4.5]decan-9-yl]prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
SYSTEMATIC NAME: 5-[(E)-3-[(8S)-8-[3,5-bis(fluoranyl)phenyl]-10-oxidanylidene-9-azaspiro[4.5]decan-9-yl]prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
MOLECULAR FORMULA: C33H31F2N3O2
MOLECULAR WEIGHT: 539.614946
SMILES: C1CCC2(C1)CC[C@H](N(C2=O)C/C=C/C3=CC4=C(CC5(C4)C6=C(NC5=O)N=CC=C6)C=C3)C7=CC(=CC(=C7)F)F
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Product OPENEYE NAME: (3R)-5'-[(E)-3-[(2S)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxo-1-piperidyl]prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-indane]-2-one
CAS Name: (2R)-5-[(E)-3-[(2S)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxo-1-piperidinyl]prop-1-enyl]-2'-spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]one
IUPAC NAME: (2R)-5-[(E)-3-[(2S)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxopiperidin-1-yl]prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
SYSTEMATIC NAME: (2R)-5-[(E)-3-[(2S)-2-[3,5-bis(fluoranyl)phenyl]-2,5,5-trimethyl-6-oxidanylidene-piperidin-1-yl]prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
MOLECULAR FORMULA: C32H31F2N3O2
MOLECULAR WEIGHT: 527.604246
SMILES: C[C@]1(CCC(C(=O)N1C/C=C/C2=CC3=C(C[C@@]4(C3)C5=C(NC4=O)N=CC=C5)C=C2)(C)C)C6=CC(=CC(=C6)F)F
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Product OPENEYE NAME: (3R)-5'-[3-[(2S)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxo-1-piperidyl]propyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-indane]-2-one
CAS Name: (2R)-5-[3-[(2S)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxo-1-piperidinyl]propyl]-2'-spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]one
IUPAC NAME: (2R)-5-[3-[(2S)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxopiperidin-1-yl]propyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
SYSTEMATIC NAME: (2R)-5-[3-[(2S)-2-[3,5-bis(fluoranyl)phenyl]-2,5,5-trimethyl-6-oxidanylidene-piperidin-1-yl]propyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
MOLECULAR FORMULA: C32H33F2N3O2
MOLECULAR WEIGHT: 529.620126
SMILES: C[C@]1(CCC(C(=O)N1CCCC2=CC3=C(C[C@@]4(C3)C5=C(NC4=O)N=CC=C5)C=C2)(C)C)C6=CC(=CC(=C6)F)F
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Product OPENEYE NAME: (4aS,7aS)-4-[1-[4-(cyclopropylmethoxymethyl)cyclohexyl]-4-piperidyl]-5,6,7,7a-tetrahydro-4aH-cyclopenta[b][1,4]oxazin-3-one
CAS Name: (4aS,7aS)-4-[1-[4-(cyclopropylmethoxymethyl)cyclohexyl]-4-piperidinyl]-5,6,7,7a-tetrahydro-4aH-cyclopenta[b][1,4]oxazin-3-one
IUPAC NAME: (4aS,7aS)-4-[1-[4-(cyclopropylmethoxymethyl)cyclohexyl]piperidin-4-yl]-5,6,7,7a-tetrahydro-4aH-cyclopenta[b][1,4]oxazin-3-one
SYSTEMATIC NAME: (4aS,7aS)-4-[1-[4-(cyclopropylmethoxymethyl)cyclohexyl]piperidin-4-yl]-5,6,7,7a-tetrahydro-4aH-cyclopenta[b][1,4]oxazin-3-one
MOLECULAR FORMULA: C23H38N2O3
MOLECULAR WEIGHT: 390.55942
SMILES: C1C[C@H]2[C@H](C1)OCC(=O)N2C3CCN(CC3)C4CCC(CC4)COCC5CC5
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Product OPENEYE NAME: 1-ethyl-3-[3-[2-(2-fluorophenyl)imino-4-(6-morpholinopyridazin-3-yl)thiazol-3-yl]propyl]urea
CAS Name: 1-ethyl-3-[3-[2-(2-fluorophenyl)imino-4-[6-(4-morpholinyl)-3-pyridazinyl]-3-thiazolyl]propyl]urea
IUPAC NAME: 1-ethyl-3-[3-[2-(2-fluorophenyl)imino-4-(6-morpholin-4-ylpyridazin-3-yl)-1,3-thiazol-3-yl]propyl]urea
SYSTEMATIC NAME: 1-ethyl-3-[3-[2-(2-fluorophenyl)imino-4-(6-morpholin-4-ylpyridazin-3-yl)-1,3-thiazol-3-yl]propyl]urea
MOLECULAR FORMULA: C23H28FN7O2S
MOLECULAR WEIGHT: 485.577523
SMILES: CCNC(=O)NCCCN1C(=CSC1=NC2=CC=CC=C2F)C3=NN=C(C=C3)N4CCOCC4
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Product OPENEYE NAME: 1-[3-[2-(2-fluorophenyl)imino-4-(6-morpholinopyridazin-3-yl)thiazol-3-yl]propyl]-3-methyl-urea
CAS Name: 1-[3-[2-(2-fluorophenyl)imino-4-[6-(4-morpholinyl)-3-pyridazinyl]-3-thiazolyl]propyl]-3-methylurea
IUPAC NAME: 1-[3-[2-(2-fluorophenyl)imino-4-(6-morpholin-4-ylpyridazin-3-yl)-1,3-thiazol-3-yl]propyl]-3-methylurea
SYSTEMATIC NAME: 1-[3-[2-(2-fluorophenyl)imino-4-(6-morpholin-4-ylpyridazin-3-yl)-1,3-thiazol-3-yl]propyl]-3-methyl-urea
MOLECULAR FORMULA: C22H26FN7O2S
MOLECULAR WEIGHT: 471.550943
SMILES: CNC(=O)NCCCN1C(=CSC1=NC2=CC=CC=C2F)C3=NN=C(C=C3)N4CCOCC4
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Product OPENEYE NAME: 1-[2-[2-[(5-chloro-2-pyridyl)imino]-4-(6-morpholinopyridazin-3-yl)thiazol-3-yl]ethyl]-3-methyl-urea
CAS Name: 1-[2-[2-[(5-chloro-2-pyridinyl)imino]-4-[6-(4-morpholinyl)-3-pyridazinyl]-3-thiazolyl]ethyl]-3-methylurea
IUPAC NAME: 1-[2-[2-(5-chloropyridin-2-yl)imino-4-(6-morpholin-4-ylpyridazin-3-yl)-1,3-thiazol-3-yl]ethyl]-3-methylurea
SYSTEMATIC NAME: 1-[2-[2-(5-chloranylpyridin-2-yl)imino-4-(6-morpholin-4-ylpyridazin-3-yl)-1,3-thiazol-3-yl]ethyl]-3-methyl-urea
MOLECULAR FORMULA: C20H23ClN8O2S
MOLECULAR WEIGHT: 474.96702
SMILES: CNC(=O)NCCN1C(=CSC1=NC2=NC=C(C=C2)Cl)C3=NN=C(C=C3)N4CCOCC4
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Product OPENEYE NAME: 1-[2-[2-[(5-chloro-3-pyridyl)imino]-4-(6-morpholinopyridazin-3-yl)thiazol-3-yl]ethyl]-3-methyl-urea
CAS Name: 1-[2-[2-[(5-chloro-3-pyridinyl)imino]-4-[6-(4-morpholinyl)-3-pyridazinyl]-3-thiazolyl]ethyl]-3-methylurea
IUPAC NAME: 1-[2-[2-(5-chloropyridin-3-yl)imino-4-(6-morpholin-4-ylpyridazin-3-yl)-1,3-thiazol-3-yl]ethyl]-3-methylurea
SYSTEMATIC NAME: 1-[2-[2-(5-chloranylpyridin-3-yl)imino-4-(6-morpholin-4-ylpyridazin-3-yl)-1,3-thiazol-3-yl]ethyl]-3-methyl-urea
MOLECULAR FORMULA: C20H23ClN8O2S
MOLECULAR WEIGHT: 474.96702
SMILES: CNC(=O)NCCN1C(=CSC1=NC2=CC(=CN=C2)Cl)C3=NN=C(C=C3)N4CCOCC4
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Product OPENEYE NAME: 1-[2-[2-(2-fluorophenyl)imino-4-(6-morpholino-1,2-dihydropyridazin-3-yl)thiazol-3-yl]ethyl]-3-methyl-urea
CAS Name: 1-[2-[2-(2-fluorophenyl)imino-4-[6-(4-morpholinyl)-1,2-dihydropyridazin-3-yl]-3-thiazolyl]ethyl]-3-methylurea
IUPAC NAME: 1-[2-[2-(2-fluorophenyl)imino-4-(6-morpholin-4-yl-1,2-dihydropyridazin-3-yl)-1,3-thiazol-3-yl]ethyl]-3-methylurea
SYSTEMATIC NAME: 1-[2-[2-(2-fluorophenyl)imino-4-(6-morpholin-4-yl-1,2-dihydropyridazin-3-yl)-1,3-thiazol-3-yl]ethyl]-3-methyl-urea
MOLECULAR FORMULA: C21H26FN7O2S
MOLECULAR WEIGHT: 459.540243
SMILES: CNC(=O)NCCN1C(=CSC1=NC2=CC=CC=C2F)C3=CC=C(NN3)N4CCOCC4
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