Product OPENEYE NAME: (2S)-2-[[[(3S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-hydroxy-phosphoryl]amino]pentanedioic acid
CAS Name: (2S)-2-[[[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-hydroxyphosphoryl]amino]pentanedioic acid
IUPAC NAME: (2S)-2-[[[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-hydroxyphosphoryl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-oxidanyl-phosphoryl]amino]pentanedioic acid
MOLECULAR FORMULA: C32H56NO7P
MOLECULAR WEIGHT: 597.763301
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CC[C@@H](C4)OP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C)C
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Product OPENEYE NAME: 5,6-dichloro-4-ethyl-1,4-dihydroquinazolin-2-amine
CAS Name: 5,6-dichloro-4-ethyl-1,4-dihydroquinazolin-2-amine
IUPAC NAME: 5,6-dichloro-4-ethyl-1,4-dihydroquinazolin-2-amine
SYSTEMATIC NAME: 5,6-bis(chloranyl)-4-ethyl-1,4-dihydroquinazolin-2-amine
MOLECULAR FORMULA: C10H11Cl2N3
MOLECULAR WEIGHT: 244.12044
SMILES: CCC1C2=C(C=CC(=C2Cl)Cl)NC(=N1)N
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Product OPENEYE NAME: 5-(4-bromophenyl)-2-(4-nitrophenyl)-3-phenyl-tetrazol-2-ium chloride
CAS Name: 5-(4-bromophenyl)-2-(4-nitrophenyl)-3-phenyltetrazol-2-ium chloride
IUPAC NAME: 5-(4-bromophenyl)-2-(4-nitrophenyl)-3-phenyltetrazol-2-ium chloride
SYSTEMATIC NAME: 5-(4-bromophenyl)-2-(4-nitrophenyl)-3-phenyl-1,2,3,4-tetrazol-2-ium chloride
MOLECULAR FORMULA: C19H13BrClN5O2
MOLECULAR WEIGHT: 458.69582
SMILES: C1=CC=C(C=C1)N2N=C(N=[N+]2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Br.[Cl-]
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Product OPENEYE NAME: 5-(4-bromophenyl)-2-(4-nitrophenyl)-3-phenyl-tetrazol-2-ium
CAS Name: 5-(4-bromophenyl)-2-(4-nitrophenyl)-3-phenyltetrazol-2-ium
IUPAC NAME: 5-(4-bromophenyl)-2-(4-nitrophenyl)-3-phenyltetrazol-2-ium
SYSTEMATIC NAME: 5-(4-bromophenyl)-2-(4-nitrophenyl)-3-phenyl-1,2,3,4-tetrazol-2-ium
MOLECULAR FORMULA: C19H13BrN5O2+
MOLECULAR WEIGHT: 423.24282
SMILES: C1=CC=C(C=C1)N2N=C(N=[N+]2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Br
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Product OPENEYE NAME: 5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-phenyl-oxazole
CAS Name: 5-methyl-4-[2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl]-2-phenyloxazole
IUPAC NAME: 5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-phenyl-1,3-oxazole
SYSTEMATIC NAME: 5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-phenyl-1,3-oxazole
MOLECULAR FORMULA: C17H22N2O
MOLECULAR WEIGHT: 270.36938
SMILES: C[C@@H]1CCCN1CCC2=C(OC(=N2)C3=CC=CC=C3)C
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Product OPENEYE NAME: 5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-isobutyl-imidazo[4,5-b]pyridine; methanesulfonic acid
CAS Name: 5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine; methanesulfonic acid
IUPAC NAME: 5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine; methanesulfonic acid
SYSTEMATIC NAME: 5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine; methanesulfonic acid
MOLECULAR FORMULA: C24H31N5O3S
MOLECULAR WEIGHT: 469.59964
SMILES: CC(C)CN1C=NC2=C1N=C(C=C2)C3=C(N=C(N3)C(C)(C)C)C4=CC=CC=C4.CS(=O)(=O)O
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Product OPENEYE NAME: 5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-isobutyl-imidazo[4,5-b]pyridine
CAS Name: 5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine
IUPAC NAME: 5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine
SYSTEMATIC NAME: 5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine
MOLECULAR FORMULA: C23H27N5
MOLECULAR WEIGHT: 373.49398
SMILES: CC(C)CN1C=NC2=C1N=C(C=C2)C3=C(N=C(N3)C(C)(C)C)C4=CC=CC=C4
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Product OPENEYE NAME: 1-[2-(2-naphthyl)ethyl]pyrrolidine
CAS Name: 1-[2-(2-naphthalenyl)ethyl]pyrrolidine
IUPAC NAME: 1-(2-naphthalen-2-ylethyl)pyrrolidine
SYSTEMATIC NAME: 1-(2-naphthalen-2-ylethyl)pyrrolidine
MOLECULAR FORMULA: C16H19N
MOLECULAR WEIGHT: 225.32876
SMILES: C1CCN(C1)CCC2=CC3=CC=CC=C3C=C2
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Product OPENEYE NAME: sodium (5R,6Z)-6-[(4-methylimidazo[1,2-a]benzimidazol-2-yl)methylene]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
CAS Name: sodium (5R,6Z)-6-[(4-methyl-2-imidazo[1,2-a]benzimidazolyl)methylidene]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
IUPAC NAME: sodium (5R,6Z)-6-[(4-methylimidazo[1,2-a]benzimidazol-2-yl)methylidene]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
SYSTEMATIC NAME: sodium (5R,6Z)-6-[(4-methylimidazo[1,2-a]benzimidazol-2-yl)methylidene]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
MOLECULAR FORMULA: C17H11N4NaO3S
MOLECULAR WEIGHT: 374.34901
SMILES: CN1C2=CC=CC=C2N3C1=NC(=C3)/C=C/4\[C@@H]5N(C4=O)C(=CS5)C(=O)[O-].[Na+]
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Product OPENEYE NAME: 2-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]pyridine
CAS Name: 2-[2-[(2S)-2-methyl-1-pyrrolidinyl]ethyl]pyridine
IUPAC NAME: 2-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]pyridine
SYSTEMATIC NAME: 2-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]pyridine
MOLECULAR FORMULA: C12H18N2
MOLECULAR WEIGHT: 190.28472
SMILES: C[C@H]1CCCN1CCC2=CC=CC=N2
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Product OPENEYE NAME: 2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]pyridine
CAS Name: 2-[2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl]pyridine
IUPAC NAME: 2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]pyridine
SYSTEMATIC NAME: 2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]pyridine
MOLECULAR FORMULA: C12H18N2
MOLECULAR WEIGHT: 190.28472
SMILES: C[C@@H]1CCCN1CCC2=CC=CC=N2
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Product OPENEYE NAME: 4-(3-hydroxy-4-methoxy-phenyl)-2-oxo-N,3-bis(3,4,5-trimethoxyphenyl)imidazole-1-carboxamide
CAS Name: 4-(3-hydroxy-4-methoxyphenyl)-2-oxo-N,3-bis(3,4,5-trimethoxyphenyl)-1-imidazolecarboxamide
IUPAC NAME: 4-(3-hydroxy-4-methoxyphenyl)-2-oxo-N,3-bis(3,4,5-trimethoxyphenyl)imidazole-1-carboxamide
SYSTEMATIC NAME: 4-(4-methoxy-3-oxidanyl-phenyl)-2-oxidanylidene-N,3-bis(3,4,5-trimethoxyphenyl)imidazole-1-carboxamide
MOLECULAR FORMULA: C29H31N3O10
MOLECULAR WEIGHT: 581.57054
SMILES: COC1=C(C=C(C=C1)C2=CN(C(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)C(=O)NC4=CC(=C(C(=C4)OC)OC)OC)O
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Product OPENEYE NAME: 5-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)pyridine
CAS Name: 5-(4-fluorophenyl)-2-(1-imidazolylmethyl)pyridine
IUPAC NAME: 5-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)pyridine
SYSTEMATIC NAME: 5-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)pyridine
MOLECULAR FORMULA: C15H12FN3
MOLECULAR WEIGHT: 253.274283
SMILES: C1=CC(=CC=C1C2=CN=C(C=C2)CN3C=CN=C3)F
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Product OPENEYE NAME: 3-(dimethylamino)-N-[(1S)-1-[3-fluoro-2-[4-[(3S,4R)-1-isopropyl-4-(m-tolyl)pyrrolidine-3-carbonyl]piperazin-1-yl]phenyl]-2-methyl-propyl]propanamide
CAS Name: 3-(dimethylamino)-N-[(1S)-1-[3-fluoro-2-[4-[[(3S,4R)-4-(3-methylphenyl)-1-propan-2-yl-3-pyrrolidinyl]-oxomethyl]-1-piperazinyl]phenyl]-2-methylpropyl]propanamide
IUPAC NAME: 3-(dimethylamino)-N-[(1S)-1-[3-fluoro-2-[4-[(3S,4R)-4-(3-methylphenyl)-1-propan-2-ylpyrrolidine-3-carbonyl]piperazin-1-yl]phenyl]-2-methylpropyl]propanamide
SYSTEMATIC NAME: 3-(dimethylamino)-N-[(1S)-1-[3-fluoranyl-2-[4-[(3S,4R)-4-(3-methylphenyl)-1-propan-2-yl-pyrrolidin-3-yl]carbonylpiperazin-1-yl]phenyl]-2-methyl-propyl]propanamide
MOLECULAR FORMULA: C34H50FN5O2
MOLECULAR WEIGHT: 579.791503
SMILES: CC1=CC=CC(=C1)[C@@H]2CN(C[C@H]2C(=O)N3CCN(CC3)C4=C(C=CC=C4F)[C@H](C(C)C)NC(=O)CCN(C)C)C(C)C
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Product OPENEYE NAME: 3-(dimethylamino)-N-[(1S)-1-[3-fluoro-2-[4-[(3S,4R)-4-(3-fluorophenyl)-1-isopropyl-pyrrolidine-3-carbonyl]piperazin-1-yl]phenyl]-2-methyl-propyl]propanamide
CAS Name: 3-(dimethylamino)-N-[(1S)-1-[3-fluoro-2-[4-[[(3S,4R)-4-(3-fluorophenyl)-1-propan-2-yl-3-pyrrolidinyl]-oxomethyl]-1-piperazinyl]phenyl]-2-methylpropyl]propanamide
IUPAC NAME: 3-(dimethylamino)-N-[(1S)-1-[3-fluoro-2-[4-[(3S,4R)-4-(3-fluorophenyl)-1-propan-2-ylpyrrolidine-3-carbonyl]piperazin-1-yl]phenyl]-2-methylpropyl]propanamide
SYSTEMATIC NAME: 3-(dimethylamino)-N-[(1S)-1-[3-fluoranyl-2-[4-[(3S,4R)-4-(3-fluorophenyl)-1-propan-2-yl-pyrrolidin-3-yl]carbonylpiperazin-1-yl]phenyl]-2-methyl-propyl]propanamide
MOLECULAR FORMULA: C33H47F2N5O2
MOLECULAR WEIGHT: 583.755386
SMILES: CC(C)[C@@H](C1=C(C(=CC=C1)F)N2CCN(CC2)C(=O)[C@@H]3CN(C[C@H]3C4=CC(=CC=C4)F)C(C)C)NC(=O)CCN(C)C
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Product OPENEYE NAME: 3-(dimethylamino)-N-[(1S)-1-[3-fluoro-2-[4-[(3S,4R)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-1-isopropyl-pyrrolidine-3-carbonyl]piperazin-1-yl]phenyl]-2-methyl-propyl]propanamide
CAS Name: 3-(dimethylamino)-N-[(1S)-1-[3-fluoro-2-[4-[[(3S,4R)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-1-propan-2-yl-3-pyrrolidinyl]-oxomethyl]-1-piperazinyl]phenyl]-2-methylpropyl]propanamide
IUPAC NAME: 3-(dimethylamino)-N-[(1S)-1-[3-fluoro-2-[4-[(3S,4R)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine-3-carbonyl]piperazin-1-yl]phenyl]-2-methylpropyl]propanamide
SYSTEMATIC NAME: 3-(dimethylamino)-N-[(1S)-1-[3-fluoranyl-2-[4-[(3S,4R)-4-[2-fluoranyl-4-(trifluoromethyl)phenyl]-1-propan-2-yl-pyrrolidin-3-yl]carbonylpiperazin-1-yl]phenyl]-2-methyl-propyl]propanamide
MOLECULAR FORMULA: C34H46F5N5O2
MOLECULAR WEIGHT: 651.753356
SMILES: CC(C)[C@@H](C1=C(C(=CC=C1)F)N2CCN(CC2)C(=O)[C@@H]3CN(C[C@H]3C4=C(C=C(C=C4)C(F)(F)F)F)C(C)C)NC(=O)CCN(C)C
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Product OPENEYE NAME: [4-(3-isopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone
CAS Name: [(3S,5S)-5-[oxo(1-pyrrolidinyl)methyl]-3-pyrrolidinyl]-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1-piperazinyl]methanone
IUPAC NAME: [4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone
SYSTEMATIC NAME: [4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-[(3S,5S)-5-pyrrolidin-1-ylcarbonylpyrrolidin-3-yl]methanone
MOLECULAR FORMULA: C19H30N6O2S
MOLECULAR WEIGHT: 406.5455
SMILES: CC(C)C1=NSC(=N1)N2CCN(CC2)C(=O)[C@H]3C[C@H](NC3)C(=O)N4CCCC4
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