Product OPENEYE NAME: (2S)-2-[[(2S)-3-(2-naphthyl)-2-sulfanyl-propanoyl]amino]-3-(4-phenylphenyl)propanoic acid
CAS Name: (2S)-2-[[(2S)-2-mercapto-3-(2-naphthalenyl)-1-oxopropyl]amino]-3-(4-phenylphenyl)propanoic acid
IUPAC NAME: (2S)-2-[[(2S)-3-naphthalen-2-yl-2-sulfanylpropanoyl]amino]-3-(4-phenylphenyl)propanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-3-naphthalen-2-yl-2-sulfanyl-propanoyl]amino]-3-(4-phenylphenyl)propanoic acid
MOLECULAR FORMULA: C28H25NO3S
MOLECULAR WEIGHT: 455.568
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)[C@H](CC3=CC4=CC=CC=C4C=C3)S
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MOLECULAR FORMULA: C22H27ClN2O4S2
MOLECULAR WEIGHT: 483.04378
SMILES: CC(C)(C)OC(=O)NC12CCC(C1NS(=O)(=O)C3=CC=C(S3)Cl)CC4=CC=CC=C4C2
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MOLECULAR FORMULA: C20H22ClNO4S2
MOLECULAR WEIGHT: 439.97598
SMILES: CCOC(=O)C12CCC(C1NS(=O)(=O)C3=CC=C(S3)Cl)CC4=CC=CC=C4C2
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Product OPENEYE NAME: 5-benzyl-3-[4-[(6-methoxy-8-quinolyl)amino]pentyl]-2-(o-tolyl)imidazolidin-4-one
CAS Name: 3-[4-[(6-methoxy-8-quinolinyl)amino]pentyl]-2-(2-methylphenyl)-5-(phenylmethyl)-4-imidazolidinone
IUPAC NAME: 5-benzyl-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2-(2-methylphenyl)imidazolidin-4-one
SYSTEMATIC NAME: 3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2-(2-methylphenyl)-5-(phenylmethyl)imidazolidin-4-one
MOLECULAR FORMULA: C32H36N4O2
MOLECULAR WEIGHT: 508.65384
SMILES: CC1=CC=CC=C1C2NC(C(=O)N2CCCC(C)NC3=C4C(=CC(=C3)OC)C=CC=N4)CC5=CC=CC=C5
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Product OPENEYE NAME: 6-(2-benzyloxy-5-chloro-phenoxy)pyridine-2-carboxylic acid
CAS Name: 6-(5-chloro-2-phenylmethoxyphenoxy)-2-pyridinecarboxylic acid
IUPAC NAME: 6-(5-chloro-2-phenylmethoxyphenoxy)pyridine-2-carboxylic acid
SYSTEMATIC NAME: 6-(5-chloranyl-2-phenylmethoxy-phenoxy)pyridine-2-carboxylic acid
MOLECULAR FORMULA: C19H14ClNO4
MOLECULAR WEIGHT: 355.77176
SMILES: C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)OC3=CC=CC(=N3)C(=O)O
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Product OPENEYE NAME: methyl 4-[[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-(2-pyridylsulfonyl)amino]methyl]piperidine-1-carboxylate
CAS Name: 4-[[[6-cyano-1-[(3-methyl-4-imidazolyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-(2-pyridinylsulfonyl)amino]methyl]-1-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 4-[[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-pyridin-2-ylsulfonylamino]methyl]piperidine-1-carboxylate
SYSTEMATIC NAME: methyl 4-[[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-2-oxidanylidene-3,4-dihydro-1,8-naphthyridin-3-yl]-pyridin-2-ylsulfonyl-amino]methyl]piperidine-1-carboxylate
MOLECULAR FORMULA: C27H30N8O5S
MOLECULAR WEIGHT: 578.6427
SMILES: CN1C=NC=C1CN2C(=O)C(CC3=C2N=CC(=C3)C#N)N(CC4CCN(CC4)C(=O)OC)S(=O)(=O)C5=CC=CC=N5
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Product OPENEYE NAME: 3-(6-chloropurin-9-yl)-1-(4-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepine
CAS Name: 3-(6-chloro-9-purinyl)-1-(4-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepine
IUPAC NAME: 3-(6-chloropurin-9-yl)-1-(4-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepine
SYSTEMATIC NAME: 3-(6-chloranylpurin-9-yl)-1-(4-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepine
MOLECULAR FORMULA: C20H15ClN6O5S
MOLECULAR WEIGHT: 486.8883
SMILES: C1C(OCC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])N4C=NC5=C4N=CN=C5Cl
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Product OPENEYE NAME: 1-[(3R,4R)-1-[[(2S)-5-bromoindan-2-yl]methyl]-3-methoxy-4-piperidyl]-2,5-dimethyl-benzimidazole
CAS Name: 1-[(3R,4R)-1-[[(2S)-5-bromo-2,3-dihydro-1H-inden-2-yl]methyl]-3-methoxy-4-piperidinyl]-2,5-dimethylbenzimidazole
IUPAC NAME: 1-[(3R,4R)-1-[[(2S)-5-bromo-2,3-dihydro-1H-inden-2-yl]methyl]-3-methoxypiperidin-4-yl]-2,5-dimethylbenzimidazole
SYSTEMATIC NAME: 1-[(3R,4R)-1-[[(2S)-5-bromanyl-2,3-dihydro-1H-inden-2-yl]methyl]-3-methoxy-piperidin-4-yl]-2,5-dimethyl-benzimidazole
MOLECULAR FORMULA: C25H30BrN3O
MOLECULAR WEIGHT: 468.4292
SMILES: CC1=CC2=C(C=C1)N(C(=N2)C)[C@@H]3CCN(C[C@H]3OC)C[C@H]4CC5=C(C4)C=C(C=C5)Br
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Product OPENEYE NAME: sodium 2-[2-[(2-benzyloxy-5-chloro-phenyl)methyl]thiazol-4-yl]acetate
CAS Name: sodium 2-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-thiazolyl]acetate
IUPAC NAME: sodium 2-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazol-4-yl]acetate
SYSTEMATIC NAME: sodium 2-[2-[(5-chloranyl-2-phenylmethoxy-phenyl)methyl]-1,3-thiazol-4-yl]ethanoate
MOLECULAR FORMULA: C19H15ClNNaO3S
MOLECULAR WEIGHT: 395.83507
SMILES: C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)CC3=NC(=CS3)CC(=O)[O-].[Na+]
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Product OPENEYE NAME: 2-[2-[(2-benzyloxy-5-chloro-phenyl)methyl]thiazol-4-yl]acetic acid
CAS Name: 2-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-thiazolyl]acetic acid
IUPAC NAME: 2-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazol-4-yl]acetic acid
SYSTEMATIC NAME: 2-[2-[(5-chloranyl-2-phenylmethoxy-phenyl)methyl]-1,3-thiazol-4-yl]ethanoic acid
MOLECULAR FORMULA: C19H16ClNO3S
MOLECULAR WEIGHT: 373.85324
SMILES: C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)CC3=NC(=CS3)CC(=O)O
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Product OPENEYE NAME: methyl N-[(2S)-2-[[(3R,4R)-4-(2,5-dimethylbenzimidazol-1-yl)-3-methoxy-1-piperidyl]methyl]indan-5-yl]carbamate
CAS Name: N-[(2S)-2-[[(3R,4R)-4-(2,5-dimethyl-1-benzimidazolyl)-3-methoxy-1-piperidinyl]methyl]-2,3-dihydro-1H-inden-5-yl]carbamic acid methyl ester
IUPAC NAME: methyl N-[(2S)-2-[[(3R,4R)-4-(2,5-dimethylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]carbamate
SYSTEMATIC NAME: methyl N-[(2S)-2-[[(3R,4R)-4-(2,5-dimethylbenzimidazol-1-yl)-3-methoxy-piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]carbamate
MOLECULAR FORMULA: C27H34N4O3
MOLECULAR WEIGHT: 462.58386
SMILES: CC1=CC2=C(C=C1)N(C(=N2)C)[C@@H]3CCN(C[C@H]3OC)C[C@H]4CC5=C(C4)C=C(C=C5)NC(=O)OC
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Product OPENEYE NAME: N-[4-[4-amino-6-(3-pyridyl)furo[2,3-d]pyrimidin-5-yl]phenyl]methanesulfonamide
CAS Name: N-[4-[4-amino-6-(3-pyridinyl)-5-furo[2,3-d]pyrimidinyl]phenyl]methanesulfonamide
IUPAC NAME: N-[4-(4-amino-6-pyridin-3-ylfuro[2,3-d]pyrimidin-5-yl)phenyl]methanesulfonamide
SYSTEMATIC NAME: N-[4-(4-azanyl-6-pyridin-3-yl-furo[2,3-d]pyrimidin-5-yl)phenyl]methanesulfonamide
MOLECULAR FORMULA: C18H15N5O3S
MOLECULAR WEIGHT: 381.4084
SMILES: CS(=O)(=O)NC1=CC=C(C=C1)C2=C(OC3=NC=NC(=C23)N)C4=CN=CC=C4
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Product OPENEYE NAME: N1-[(1S,2R)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-2-[(2R)-2-piperidyl]ethyl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide
CAS Name: N1-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-2-piperidinyl]propan-2-yl]-5-methyl-N3,N3-dipropylbenzene-1,3-dicarboxamide
IUPAC NAME: 1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-piperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
SYSTEMATIC NAME: N1-[(1R,2S)-3-[3,5-bis(fluoranyl)phenyl]-1-oxidanyl-1-[(2R)-piperidin-2-yl]propan-2-yl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide
MOLECULAR FORMULA: C29H39F2N3O3
MOLECULAR WEIGHT: 515.635066
SMILES: CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)N[C@@H](CC2=CC(=CC(=C2)F)F)[C@@H]([C@H]3CCCCN3)O)C
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MOLECULAR FORMULA: C26H38O6
MOLECULAR WEIGHT: 446.57632
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@@](O3)(OO4)C)OC(=O)C56CC7CC(C5)CC(C7)C6)C
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MOLECULAR FORMULA: C27H40O6
MOLECULAR WEIGHT: 460.6029
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@@](O3)(OO4)C)OC(=O)CC56CC7CC(C5)CC(C7)C6)C
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Product OPENEYE NAME: 1-[3-[(1R,5S)-3-[5-(cyclobutanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-phenyl-3-(p-tolyl)urea
CAS Name: 1-[3-[(1R,5S)-3-[5-[cyclobutyl(oxo)methyl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-3-(4-methylphenyl)-1-phenylurea
IUPAC NAME: 1-[3-[(1R,5S)-3-[5-(cyclobutanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-3-(4-methylphenyl)-1-phenylurea
SYSTEMATIC NAME: 1-[3-[(1R,5S)-3-(5-cyclobutylcarbonyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-3-(4-methylphenyl)-1-phenyl-urea
MOLECULAR FORMULA: C36H46N6O2
MOLECULAR WEIGHT: 594.78944
SMILES: CC1=CC=C(C=C1)NC(=O)N(CCCN2[C@@H]3CC[C@H]2CC(C3)N4C(=NC5=C4CCN(C5)C(=O)C6CCC6)C)C7=CC=CC=C7
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Product OPENEYE NAME: 1-[3-[(1R,5S)-3-[5-(cyclopentanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-phenyl-3-(p-tolyl)urea
CAS Name: 1-[3-[(1R,5S)-3-[5-[cyclopentyl(oxo)methyl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-3-(4-methylphenyl)-1-phenylurea
IUPAC NAME: 1-[3-[(1R,5S)-3-[5-(cyclopentanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-3-(4-methylphenyl)-1-phenylurea
SYSTEMATIC NAME: 1-[3-[(1R,5S)-3-(5-cyclopentylcarbonyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-3-(4-methylphenyl)-1-phenyl-urea
MOLECULAR FORMULA: C37H48N6O2
MOLECULAR WEIGHT: 608.81602
SMILES: CC1=CC=C(C=C1)NC(=O)N(CCCN2[C@@H]3CC[C@H]2CC(C3)N4C(=NC5=C4CCN(C5)C(=O)C6CCCC6)C)C7=CC=CC=C7
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MOLECULAR FORMULA: C29H34O7
MOLECULAR WEIGHT: 494.57606
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@@](O3)(OO4)C)OC(=O)COC5=CC=C(C=C5)C6=CC=CC=C6)C
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Product OPENEYE NAME: N-cyano-N'-(o-tolyl)-3-phenyl-4-[2-(2-thienyl)acetyl]piperazine-1-carboxamidine
CAS Name: N-cyano-N'-(2-methylphenyl)-4-(1-oxo-2-thiophen-2-ylethyl)-3-phenyl-1-piperazinecarboximidamide
IUPAC NAME: N-cyano-N'-(2-methylphenyl)-3-phenyl-4-(2-thiophen-2-ylacetyl)piperazine-1-carboximidamide
SYSTEMATIC NAME: N-cyano-N'-(2-methylphenyl)-3-phenyl-4-(2-thiophen-2-ylethanoyl)piperazine-1-carboximidamide
MOLECULAR FORMULA: C25H25N5OS
MOLECULAR WEIGHT: 443.5639
SMILES: CC1=CC=CC=C1N=C(NC#N)N2CCN(C(C2)C3=CC=CC=C3)C(=O)CC4=CC=CS4
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