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MOLECULAR FORMULA: C38H38N6O6
MOLECULAR WEIGHT: 674.74492
SMILES: CC(=O)NCCCNCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)CCNCCCNC(=O)C)C1=O
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Product OPENEYE NAME: 6-(2,6-dichlorophenyl)-8-methyl-2-(3-piperazin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one
CAS Name: 6-(2,6-dichlorophenyl)-8-methyl-2-[3-(1-piperazinyl)propylamino]-7-pyrido[2,3-d]pyrimidinone
IUPAC NAME: 6-(2,6-dichlorophenyl)-8-methyl-2-(3-piperazin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one
SYSTEMATIC NAME: 6-[2,6-bis(chloranyl)phenyl]-8-methyl-2-(3-piperazin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one
MOLECULAR FORMULA: C21H24Cl2N6O
MOLECULAR WEIGHT: 447.36086
SMILES: CN1C2=NC(=NC=C2C=C(C1=O)C3=C(C=CC=C3Cl)Cl)NCCCN4CCNCC4
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Product OPENEYE NAME: O1-[2-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-prop-2-enoyloxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[4-[(2S,3R)-2-(2-chlorophenyl)-4-oxo-1-sec-butylsulfanyl-azetidin-3-yl]oxy-4-oxo-butanoyl]oxy-ethyl] O4-[(2S,3R)-2-(2-chlorophenyl)-4-oxo-1-sec-butyls
CAS Name: butanedioic acid O1-[2-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-(1-oxoprop-2-enoxy)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[4-[[(2S,3R)-1-(butan-2-ylthio)-2-(2-chlorophenyl)-4-oxo-3-azetidinyl]oxy]-1,4-dioxobutoxy]ethyl] ester O4-[(2S,3R)-1-(butan-2-yl
IUPAC NAME: 1-O-[2-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-prop-2-enoyloxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[4-[(2S,3R)-1-butan-2-ylsulfanyl-2-(2-chlorophenyl)-4-oxoazetidin-3-yl]oxy-4-oxobutanoyl]oxyethyl] 4-O-[(2S,3R)-1-butan-2-ylsulfanyl-2-(2-chloropheny
SYSTEMATIC NAME: O1-[2-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-prop-2-enoyloxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[4-[(2S,3R)-1-butan-2-ylsulfanyl-2-(2-chlorophenyl)-4-oxidanylidene-azetidin-3-yl]oxy-4-oxidanylidene-butanoyl]oxy-ethyl] O4-[(2S,3R)-1-butan-2-ylsulf
MOLECULAR FORMULA: C46H54Cl2N2O15S2
MOLECULAR WEIGHT: 1009.96136
SMILES: CCC(C)SN1[C@H]([C@H](C1=O)OC(=O)CCC(=O)OCC([C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OC(=O)C=C)OC(=O)CCC(=O)O[C@@H]4[C@@H](N(C4=O)SC(C)CC)C5=CC=CC=C5Cl)C6=CC=CC=C6Cl
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Product OPENEYE NAME: 1-[[4-(dimethylamino)phenyl]methyl]-3-[7-(hydroxyamino)-7-oxo-heptyl]urea
CAS Name: 7-[[[[4-(dimethylamino)phenyl]methylamino]-oxomethyl]amino]-N-hydroxyheptanamide
IUPAC NAME: 7-[[4-(dimethylamino)phenyl]methylcarbamoylamino]-N-hydroxyheptanamide
SYSTEMATIC NAME: 7-[[4-(dimethylamino)phenyl]methylcarbamoylamino]-N-oxidanyl-heptanamide
MOLECULAR FORMULA: C17H28N4O3
MOLECULAR WEIGHT: 336.42922
SMILES: CN(C)C1=CC=C(C=C1)CNC(=O)NCCCCCCC(=O)NO
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Product OPENEYE NAME: 1-[[4-(dimethylamino)phenyl]methyl]-3-[8-(hydroxyamino)-8-oxo-octyl]urea
CAS Name: 8-[[[[4-(dimethylamino)phenyl]methylamino]-oxomethyl]amino]-N-hydroxyoctanamide
IUPAC NAME: 8-[[4-(dimethylamino)phenyl]methylcarbamoylamino]-N-hydroxyoctanamide
SYSTEMATIC NAME: 8-[[4-(dimethylamino)phenyl]methylcarbamoylamino]-N-oxidanyl-octanamide
MOLECULAR FORMULA: C18H30N4O3
MOLECULAR WEIGHT: 350.4558
SMILES: CN(C)C1=CC=C(C=C1)CNC(=O)NCCCCCCCC(=O)NO
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Product OPENEYE NAME: [2-amino-7-(dimethylamino)phenothiazin-3-ylidene]-dimethyl-ammonium
CAS Name: [2-amino-7-(dimethylamino)-3-phenothiazinylidene]-dimethylammonium
IUPAC NAME: [2-amino-7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium
SYSTEMATIC NAME: [2-azanyl-7-(dimethylamino)phenothiazin-3-ylidene]-dimethyl-azanium
MOLECULAR FORMULA: C16H19N4S+
MOLECULAR WEIGHT: 299.41386
SMILES: CN(C)C1=CC2=C(C=C1)N=C3C=C(C(=[N+](C)C)C=C3S2)N
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Product OPENEYE NAME: 3-hydroxy-2-(m-tolyl)chromen-4-one
CAS Name: 3-hydroxy-2-(3-methylphenyl)-1-benzopyran-4-one
IUPAC NAME: 3-hydroxy-2-(3-methylphenyl)chromen-4-one
SYSTEMATIC NAME: 2-(3-methylphenyl)-3-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C16H12O3
MOLECULAR WEIGHT: 252.26468
SMILES: CC1=CC=CC(=C1)C2=C(C(=O)C3=CC=CC=C3O2)O
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Product OPENEYE NAME: 3-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]propanoic acid
CAS Name: 3-[2-bromo-6-(4-pyrido[4,3-d]pyrimidinylamino)anilino]propanoic acid
IUPAC NAME: 3-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]propanoic acid
SYSTEMATIC NAME: 3-[[2-bromanyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]amino]propanoic acid
MOLECULAR FORMULA: C16H14BrN5O2
MOLECULAR WEIGHT: 388.21866
SMILES: C1=CC(=C(C(=C1)Br)NCCC(=O)O)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: 3-bromo-N2-(3-morpholinopropyl)-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: 3-bromo-N2-[3-(4-morpholinyl)propyl]-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 3-bromo-2-N-(3-morpholin-4-ylpropyl)-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: 3-bromanyl-N2-(3-morpholin-4-ylpropyl)-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C20H23BrN6O
MOLECULAR WEIGHT: 443.34022
SMILES: C1COCCN1CCCNC2=C(C=CC=C2Br)NC3=NC=NC4=C3C=NC=C4
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Product OPENEYE NAME: [5-(5-cyano-1-methyl-pyrrol-2-yl)-7-fluoro-3,3-dimethyl-2-oxo-indolin-1-yl]methyl acetate
CAS Name: acetic acid [5-(5-cyano-1-methyl-2-pyrrolyl)-7-fluoro-3,3-dimethyl-2-oxo-1-indolyl]methyl ester
IUPAC NAME: [5-(5-cyano-1-methylpyrrol-2-yl)-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl]methyl acetate
SYSTEMATIC NAME: [5-(5-cyano-1-methyl-pyrrol-2-yl)-7-fluoranyl-3,3-dimethyl-2-oxidanylidene-indol-1-yl]methyl ethanoate
MOLECULAR FORMULA: C19H18FN3O3
MOLECULAR WEIGHT: 355.362923
SMILES: CC(=O)OCN1C2=C(C=C(C=C2F)C3=CC=C(N3C)C#N)C(C1=O)(C)C
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Product OPENEYE NAME: N4,N4-dimethyl-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2,4-triamine
CAS Name: N4,N4-dimethyl-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2,4-triamine
IUPAC NAME: 4-N,4-N-dimethyl-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2,4-triamine
SYSTEMATIC NAME: N4,N4-dimethyl-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2,4-triamine
MOLECULAR FORMULA: C15H16N6
MOLECULAR WEIGHT: 280.32774
SMILES: CN(C)C1=CC(=C(C=C1)NC2=NC=NC3=C2C=NC=C3)N
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Product OPENEYE NAME: 3-fluoro-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: 3-fluoro-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 3-fluoro-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: 3-fluoranyl-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C13H10FN5
MOLECULAR WEIGHT: 255.250403
SMILES: C1=CC(=C(C(=C1)F)N)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: N3,N3-dimethyl-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2,3-triamine
CAS Name: N3,N3-dimethyl-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2,3-triamine
IUPAC NAME: 3-N,3-N-dimethyl-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2,3-triamine
SYSTEMATIC NAME: N3,N3-dimethyl-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2,3-triamine
MOLECULAR FORMULA: C15H16N6
MOLECULAR WEIGHT: 280.32774
SMILES: CN(C)C1=CC=CC(=C1N)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: ethyl 2-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]-3-cyano-4,5,6,7-tetrahydrobenzothiophene-5-carboxylate
CAS Name: 2-[[[2-chloro-5-(diethylsulfamoyl)phenyl]-oxomethyl]amino]-3-cyano-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]-3-cyano-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylate
SYSTEMATIC NAME: ethyl 2-[[2-chloranyl-5-(diethylsulfamoyl)phenyl]carbonylamino]-3-cyano-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylate
MOLECULAR FORMULA: C23H26ClN3O5S2
MOLECULAR WEIGHT: 524.05264
SMILES: CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NC2=C(C3=C(S2)CCC(C3)C(=O)OCC)C#N
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Product OPENEYE NAME: 2,4-dichloro-N-[3-cyano-5-(4-hydroxyphenyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-(diethylsulfamoyl)benzamide
CAS Name: 2,4-dichloro-N-[3-cyano-5-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(diethylsulfamoyl)benzamide
IUPAC NAME: 2,4-dichloro-N-[3-cyano-5-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(diethylsulfamoyl)benzamide
SYSTEMATIC NAME: 2,4-bis(chloranyl)-N-[3-cyano-5-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(diethylsulfamoyl)benzamide
MOLECULAR FORMULA: C26H25Cl2N3O4S2
MOLECULAR WEIGHT: 578.5304
SMILES: CCN(CC)S(=O)(=O)C1=C(C=C(C(=C1)C(=O)NC2=C(C3=C(S2)CCC(C3)C4=CC=C(C=C4)O)C#N)Cl)Cl
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Product OPENEYE NAME: 5-fluoro-2-[3-(trifluoromethyl)anilino]benzoic acid
CAS Name: 5-fluoro-2-[3-(trifluoromethyl)anilino]benzoic acid
IUPAC NAME: 5-fluoro-2-[3-(trifluoromethyl)anilino]benzoic acid
SYSTEMATIC NAME: 5-fluoranyl-2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid
MOLECULAR FORMULA: C14H9F4NO2
MOLECULAR WEIGHT: 299.220373
SMILES: C1=CC(=CC(=C1)NC2=C(C=C(C=C2)F)C(=O)O)C(F)(F)F
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Product OPENEYE NAME: (2-amino-4-pyridyl)-[3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone
CAS Name: (2-amino-4-pyridinyl)-[3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone
IUPAC NAME: (2-aminopyridin-4-yl)-[3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone
SYSTEMATIC NAME: (2-azanylpyridin-4-yl)-[3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone
MOLECULAR FORMULA: C29H34N4O3
MOLECULAR WEIGHT: 486.60526
SMILES: COC1=CC=CC=C1OC2=CC=CC=C2CN3CCC4(CC3)CCN(CC4)C(=O)C5=CC(=NC=C5)N
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Product OPENEYE NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis[(4-nitrophenyl)methyl]amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
CAS Name: acetic acid [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[[3-[4-[3-[bis[(4-nitrophenyl)methyl]amino]propyl]-1-piperazinyl]propylamino]-oxomethyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ester
IUPAC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis[(4-nitrophenyl)methyl]amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
SYSTEMATIC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis[(4-nitrophenyl)methyl]amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ethanoate
MOLECULAR FORMULA: C56H82N6O7
MOLECULAR WEIGHT: 951.28628
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C(=O)NCCCN6CCN(CC6)CCCN(CC7=CC=C(C=C7)[N+](=O)[O-])CC8=CC=C(C=C8)[N+](=O)[O-]
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Product OPENEYE NAME: O8-ethyl O7-methyl (5R,7S)-1-benzyl-5-dodecanoyl-5-hydroxy-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-7,8-dicarboxylate
CAS Name: (5R,7S)-5-hydroxy-5-(1-oxododecyl)-1-(phenylmethyl)-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-7,8-dicarboxylic acid O8-ethyl ester O7-methyl ester
IUPAC NAME: 8-O-ethyl 7-O-methyl (5R,7S)-1-benzyl-5-dodecanoyl-5-hydroxy-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-7,8-dicarboxylate
SYSTEMATIC NAME: O8-ethyl O7-methyl (5R,7S)-5-dodecanoyl-5-oxidanyl-1-(phenylmethyl)-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-7,8-dicarboxylate
MOLECULAR FORMULA: C31H46N2O6
MOLECULAR WEIGHT: 542.70674
SMILES: CCCCCCCCCCCC(=O)[C@@]1(C[C@@H](C(=C2N1CCN2CC3=CC=CC=C3)C(=O)OCC)C(=O)OC)O
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Product OPENEYE NAME: 1-[[4-(dimethylamino)phenyl]methyl]-3-[6-(hydroxyamino)-6-oxo-hexyl]urea
CAS Name: 6-[[[[4-(dimethylamino)phenyl]methylamino]-oxomethyl]amino]-N-hydroxyhexanamide
IUPAC NAME: 6-[[4-(dimethylamino)phenyl]methylcarbamoylamino]-N-hydroxyhexanamide
SYSTEMATIC NAME: 6-[[4-(dimethylamino)phenyl]methylcarbamoylamino]-N-oxidanyl-hexanamide
MOLECULAR FORMULA: C16H26N4O3
MOLECULAR WEIGHT: 322.40264
SMILES: CN(C)C1=CC=C(C=C1)CNC(=O)NCCCCCC(=O)NO
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Product OPENEYE NAME: N-(4-chlorophenyl)-6-[(6,7-dimethoxy-4-quinolyl)oxy]naphthalene-1-carboxamide; methanesulfonic acid
CAS Name: N-(4-chlorophenyl)-6-[(6,7-dimethoxy-4-quinolinyl)oxy]-1-naphthalenecarboxamide; methanesulfonic acid
IUPAC NAME: N-(4-chlorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide; methanesulfonic acid
SYSTEMATIC NAME: N-(4-chlorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxy-naphthalene-1-carboxamide; methanesulfonic acid
MOLECULAR FORMULA: C29H25ClN2O7S
MOLECULAR WEIGHT: 581.036
SMILES: COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC4=C(C=C3)C(=CC=C4)C(=O)NC5=CC=C(C=C5)Cl.CS(=O)(=O)O
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